3-bromo-N-[[1-(cyclopropylmethyl)benzimidazol-2-yl]methyl]-N-prop-2-enylbenzamide;3-bromo-N-[[1-(cyclopropylmethyl)benzimidazol-2-yl]methyl]-N-propylbenzamide;N-(cyclopropylmethyl)-3-methyl-N-[(1-propylbenzimidazol-2-yl)methyl]benzamide;N-(cyclopropylmethyl)-4-methyl-N-[(1-propylbenzimidazol-2-yl)methyl]benzamide;N-(cyclopropylmethyl)-N-[(1-propylbenzimidazol-2-yl)methyl]benzamide;2,5-dichloro-N-[[1-(cyclopropylmethyl)benzimidazol-2-yl]methyl]-N-prop-2-enylbenzamide;3,4-dichloro-N-[[1-(cyclopropylmethyl)benzimidazol-2-yl]methyl]-N-propylbenzamide

C156H169Br2Cl4N21O7 — CID 157399316

IUPAC3-bromo-N-[[1-(cyclopropylmethyl)benzimidazol-2-yl]methyl]-N-prop-2-enylbenzamide;3-bromo-N-[[1-(cyclopropylmethyl)benzimidazol-2-yl]methyl]-N-propylbenzamide;N-(cyclopropylmethyl)-3-methyl-N-[(1-propylbenzimidazol-2-yl)methyl]benzamide;N-(cyclopropylmethyl)-4-methyl-N-[(1-propylbenzimidazol-2-yl)methyl]benzamide;N-(cyclopropylmethyl)-N-[(1-propylbenzimidazol-2-yl)methyl]benzamide;2,5-dichloro-N-[[1-(cyclopropylmethyl)benzimidazol-2-yl]methyl]-N-prop-2-enylbenzamide;3,4-dichloro-N-[[1-(cyclopropylmethyl)benzimidazol-2-yl]methyl]-N-propylbenzamide
SMILESC=CCN(Cc1nc2ccccc2n1CC1CC1)C(=O)c1cc(Cl)ccc1Cl.C=CCN(Cc1nc2ccccc2n1CC1CC1)C(=O)c1cccc(Br)c1.CCCN(Cc1nc2ccccc2n1CC1CC1)C(=O)c1ccc(Cl)c(Cl)c1.CCCN(Cc1nc2ccccc2n1CC1CC1)C(=O)c1cccc(Br)c1.CCCn1c(CN(CC2CC2)C(=O)c2ccc(C)cc2)nc2ccccc21.CCCn1c(CN(CC2CC2)C(=O)c2cccc(C)c2)nc2ccccc21.CCCn1c(CN(CC2CC2)C(=O)c2ccccc2)nc2ccccc21
InChIInChI=1S/2C23H27N3O.C22H24BrN3O.C22H22BrN3O.C22H21Cl2N3O.C22H23Cl2N3O.C22H25N3O/c1-3-13-26-21-10-5-4-9-20(21)24-22(26)16-25(15-18-11-12-18)23(27)19-8-6-7-17(2)14-19;1-3-14-26-21-7-5-4-6-20(21)24-22(26)16-25(15-18-10-11-18)23(27)19-12-8-17(2)9-13-19;2*1-2-12-25(22(27)17-6-5-7-18(23)13-17)15-21-24-19-8-3-4-9-20(19)26(21)14-16-10-11-16;1-2-11-26(22(28)17-12-16(23)9-10-18(17)24)14-21-25-19-5-3-4-6-20(19)27(21)13-15-7-8-15;1-2-11-26(22(28)16-9-10-17(23)18(24)12-16)14-21-25-19-5-3-4-6-20(19)27(21)13-15-7-8-15;1-2-14-25-20-11-7-6-10-19(20)23-21(25)16-24(15-17-12-13-17)22(26)18-8-4-3-5-9-18/h4-10,14,18H,3,11-13,15-16H2,1-2H3;4-9,12-13,18H,3,10-11,14-16H2,1-2H3;3-9,13,16H,2,10-12,14-15H2,1H3;2-9,13,16H,1,10-12,14-15H2;2-6,9-10,12,15H,1,7-8,11,13-14H2;3-6,9-10,12,15H,2,7-8,11,13-14H2,1H3;3-11,17H,2,12-16H2,1H3
InChIKeyBMYLHPWMOAESBR-UHFFFAOYSA-N
MW2751.83 g/mol
LogP35.80
Rot. Bonds49

About 3-bromo-N-[[1-(cyclopropylmethyl)benzimidazol-2-yl]methyl]-N-prop-2-enylbenzamide;3-bromo-N-[[1-(cyclopropylmethyl)benzimidazol-2-yl]methyl]-N-propylbenzamide;N-(cyclopropylmethyl)-3-methyl-N-[(1-propylbenzimidazol-2-yl)methyl]benzamide;N-(cyclopropylmethyl)-4-methyl-N-[(1-propylbenzimidazol-2-yl)methyl]benzamide;N-(cyclopropylmethyl)-N-[(1-propylbenzimidazol-2-yl)methyl]benzamide;2,5-dichloro-N-[[1-(cyclopropylmethyl)benzimidazol-2-yl]methyl]-N-prop-2-enylbenzamide;3,4-dichloro-N-[[1-(cyclopropylmethyl)benzimidazol-2-yl]methyl]-N-propylbenzamide

3-bromo-N-[[1-(cyclopropylmethyl)benzimidazol-2-yl]methyl]-N-prop-2-enylbenzamide;3-bromo-N-[[1-(cyclopropylmethyl)benzimidazol-2-yl]methyl]-N-propylbenzamide;N-(cyclopropylmethyl)-3-methyl-N-[(1-propylbenzimidazol-2-yl)methyl]benzamide;N-(cyclopropylmethyl)-4-methyl-N-[(1-propylbenzimidazol-2-yl)methyl]benzamide;N-(cyclopropylmethyl)-N-[(1-propylbenzimidazol-2-yl)methyl]benzamide;2,5-dichloro-N-[[1-(cyclopropylmethyl)benzimidazol-2-yl]methyl]-N-prop-2-enylbenzamide;3,4-dichloro-N-[[1-(cyclopropylmethyl)benzimidazol-2-yl]methyl]-N-propylbenzamide (PubChem CID 157399316) has the molecular formula C156H169Br2Cl4N21O7 and a molecular weight of 2751.83 g/mol. Its IUPAC name is 3-bromo-N-[[1-(cyclopropylmethyl)benzimidazol-2-yl]methyl]-N-prop-2-enylbenzamide;3-bromo-N-[[1-(cyclopropylmethyl)benzimidazol-2-yl]methyl]-N-propylbenzamide;N-(cyclopropylmethyl)-3-methyl-N-[(1-propylbenzimidazol-2-yl)methyl]benzamide;N-(cyclopropylmethyl)-4-methyl-N-[(1-propylbenzimidazol-2-yl)methyl]benzamide;N-(cyclopropylmethyl)-N-[(1-propylbenzimidazol-2-yl)methyl]benzamide;2,5-dichloro-N-[[1-(cyclopropylmethyl)benzimidazol-2-yl]methyl]-N-prop-2-enylbenzamide;3,4-dichloro-N-[[1-(cyclopropylmethyl)benzimidazol-2-yl]methyl]-N-propylbenzamide.

Molecular Properties

Compound Name3-bromo-N-[[1-(cyclopropylmethyl)benzimidazol-2-yl]methyl]-N-prop-2-enylbenzamide;3-bromo-N-[[1-(cyclopropylmethyl)benzimidazol-2-yl]methyl]-N-propylbenzamide;N-(cyclopropylmethyl)-3-methyl-N-[(1-propylbenzimidazol-2-yl)methyl]benzamide;N-(cyclopropylmethyl)-4-methyl-N-[(1-propylbenzimidazol-2-yl)methyl]benzamide;N-(cyclopropylmethyl)-N-[(1-propylbenzimidazol-2-yl)methyl]benzamide;2,5-dichloro-N-[[1-(cyclopropylmethyl)benzimidazol-2-yl]methyl]-N-prop-2-enylbenzamide;3,4-dichloro-N-[[1-(cyclopropylmethyl)benzimidazol-2-yl]methyl]-N-propylbenzamide
PubChem CID157399316
Molecular FormulaC156H169Br2Cl4N21O7
Molecular Weight2751.83 g/mol
Exact Mass2746.06
IUPAC Name3-bromo-N-[[1-(cyclopropylmethyl)benzimidazol-2-yl]methyl]-N-prop-2-enylbenzamide;3-bromo-N-[[1-(cyclopropylmethyl)benzimidazol-2-yl]methyl]-N-propylbenzamide;N-(cyclopropylmethyl)-3-methyl-N-[(1-propylbenzimidazol-2-yl)methyl]benzamide;N-(cyclopropylmethyl)-4-methyl-N-[(1-propylbenzimidazol-2-yl)methyl]benzamide;N-(cyclopropylmethyl)-N-[(1-propylbenzimidazol-2-yl)methyl]benzamide;2,5-dichloro-N-[[1-(cyclopropylmethyl)benzimidazol-2-yl]methyl]-N-prop-2-enylbenzamide;3,4-dichloro-N-[[1-(cyclopropylmethyl)benzimidazol-2-yl]methyl]-N-propylbenzamide
SMILESC=CCN(Cc1nc2ccccc2n1CC1CC1)C(=O)c1cc(Cl)ccc1Cl.C=CCN(Cc1nc2ccccc2n1CC1CC1)C(=O)c1cccc(Br)c1.CCCN(Cc1nc2ccccc2n1CC1CC1)C(=O)c1ccc(Cl)c(Cl)c1.CCCN(Cc1nc2ccccc2n1CC1CC1)C(=O)c1cccc(Br)c1.CCCn1c(CN(CC2CC2)C(=O)c2ccc(C)cc2)nc2ccccc21.CCCn1c(CN(CC2CC2)C(=O)c2cccc(C)c2)nc2ccccc21.CCCn1c(CN(CC2CC2)C(=O)c2ccccc2)nc2ccccc21
InChIInChI=1S/2C23H27N3O.C22H24BrN3O.C22H22BrN3O.C22H21Cl2N3O.C22H23Cl2N3O.C22H25N3O/c1-3-13-26-21-10-5-4-9-20(21)24-22(26)16-25(15-18-11-12-18)23(27)19-8-6-7-17(2)14-19;1-3-14-26-21-7-5-4-6-20(21)24-22(26)16-25(15-18-10-11-18)23(27)19-12-8-17(2)9-13-19;2*1-2-12-25(22(27)17-6-5-7-18(23)13-17)15-21-24-19-8-3-4-9-20(19)26(21)14-16-10-11-16;1-2-11-26(22(28)17-12-16(23)9-10-18(17)24)14-21-25-19-5-3-4-6-20(19)27(21)13-15-7-8-15;1-2-11-26(22(28)16-9-10-17(23)18(24)12-16)14-21-25-19-5-3-4-6-20(19)27(21)13-15-7-8-15;1-2-14-25-20-11-7-6-10-19(20)23-21(25)16-24(15-17-12-13-17)22(26)18-8-4-3-5-9-18/h4-10,14,18H,3,11-13,15-16H2,1-2H3;4-9,12-13,18H,3,10-11,14-16H2,1-2H3;3-9,13,16H,2,10-12,14-15H2,1H3;2-9,13,16H,1,10-12,14-15H2;2-6,9-10,12,15H,1,7-8,11,13-14H2;3-6,9-10,12,15H,2,7-8,11,13-14H2,1H3;3-11,17H,2,12-16H2,1H3
InChIKeyBMYLHPWMOAESBR-UHFFFAOYSA-N
XLogP35.80
TPSA266.91 Ų
H-Bond Donors
H-Bond Acceptors21
Rotatable Bonds49
Heavy Atoms190
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002751.83
LogP ≤ 535.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1021

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Analyze 3-bromo-N-[[1-(cyclopropylmethyl)benzimidazol-2-yl]methyl]-N-prop-2-enylbenzamide;3-bromo-N-[[1-(cyclopropylmethyl)benzimidazol-2-yl]methyl]-N-propylbenzamide;N-(cyclopropylmethyl)-3-methyl-N-[(1-propylbenzimidazol-2-yl)methyl]benzamide;N-(cyclopropylmethyl)-4-methyl-N-[(1-propylbenzimidazol-2-yl)methyl]benzamide;N-(cyclopropylmethyl)-N-[(1-propylbenzimidazol-2-yl)methyl]benzamide;2,5-dichloro-N-[[1-(cyclopropylmethyl)benzimidazol-2-yl]methyl]-N-prop-2-enylbenzamide;3,4-dichloro-N-[[1-(cyclopropylmethyl)benzimidazol-2-yl]methyl]-N-propylbenzamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of 3-bromo-N-[[1-(cyclopropylmethyl)benzimidazol-2-yl]methyl]-N-prop-2-enylbenzamide;3-bromo-N-[[1-(cyclopropylmethyl)benzimidazol-2-yl]methyl]-N-propylbenzamide;N-(cyclopropylmethyl)-3-methyl-N-[(1-propylbenzimidazol-2-yl)methyl]benzamide;N-(cyclopropylmethyl)-4-methyl-N-[(1-propylbenzimidazol-2-yl)methyl]benzamide;N-(cyclopropylmethyl)-N-[(1-propylbenzimidazol-2-yl)methyl]benzamide;2,5-dichloro-N-[[1-(cyclopropylmethyl)benzimidazol-2-yl]methyl]-N-prop-2-enylbenzamide;3,4-dichloro-N-[[1-(cyclopropylmethyl)benzimidazol-2-yl]methyl]-N-propylbenzamide?
The IUPAC name of 3-bromo-N-[[1-(cyclopropylmethyl)benzimidazol-2-yl]methyl]-N-prop-2-enylbenzamide;3-bromo-N-[[1-(cyclopropylmethyl)benzimidazol-2-yl]methyl]-N-propylbenzamide;N-(cyclopropylmethyl)-3-methyl-N-[(1-propylbenzimidazol-2-yl)methyl]benzamide;N-(cyclopropylmethyl)-4-methyl-N-[(1-propylbenzimidazol-2-yl)methyl]benzamide;N-(cyclopropylmethyl)-N-[(1-propylbenzimidazol-2-yl)methyl]benzamide;2,5-dichloro-N-[[1-(cyclopropylmethyl)benzimidazol-2-yl]methyl]-N-prop-2-enylbenzamide;3,4-dichloro-N-[[1-(cyclopropylmethyl)benzimidazol-2-yl]methyl]-N-propylbenzamide (CID 157399316) is 3-bromo-N-[[1-(cyclopropylmethyl)benzimidazol-2-yl]methyl]-N-prop-2-enylbenzamide;3-bromo-N-[[1-(cyclopropylmethyl)benzimidazol-2-yl]methyl]-N-propylbenzamide;N-(cyclopropylmethyl)-3-methyl-N-[(1-propylbenzimidazol-2-yl)methyl]benzamide;N-(cyclopropylmethyl)-4-methyl-N-[(1-propylbenzimidazol-2-yl)methyl]benzamide;N-(cyclopropylmethyl)-N-[(1-propylbenzimidazol-2-yl)methyl]benzamide;2,5-dichloro-N-[[1-(cyclopropylmethyl)benzimidazol-2-yl]methyl]-N-prop-2-enylbenzamide;3,4-dichloro-N-[[1-(cyclopropylmethyl)benzimidazol-2-yl]methyl]-N-propylbenzamide.
What is the SMILES notation for 3-bromo-N-[[1-(cyclopropylmethyl)benzimidazol-2-yl]methyl]-N-prop-2-enylbenzamide;3-bromo-N-[[1-(cyclopropylmethyl)benzimidazol-2-yl]methyl]-N-propylbenzamide;N-(cyclopropylmethyl)-3-methyl-N-[(1-propylbenzimidazol-2-yl)methyl]benzamide;N-(cyclopropylmethyl)-4-methyl-N-[(1-propylbenzimidazol-2-yl)methyl]benzamide;N-(cyclopropylmethyl)-N-[(1-propylbenzimidazol-2-yl)methyl]benzamide;2,5-dichloro-N-[[1-(cyclopropylmethyl)benzimidazol-2-yl]methyl]-N-prop-2-enylbenzamide;3,4-dichloro-N-[[1-(cyclopropylmethyl)benzimidazol-2-yl]methyl]-N-propylbenzamide?
The canonical SMILES for 3-bromo-N-[[1-(cyclopropylmethyl)benzimidazol-2-yl]methyl]-N-prop-2-enylbenzamide;3-bromo-N-[[1-(cyclopropylmethyl)benzimidazol-2-yl]methyl]-N-propylbenzamide;N-(cyclopropylmethyl)-3-methyl-N-[(1-propylbenzimidazol-2-yl)methyl]benzamide;N-(cyclopropylmethyl)-4-methyl-N-[(1-propylbenzimidazol-2-yl)methyl]benzamide;N-(cyclopropylmethyl)-N-[(1-propylbenzimidazol-2-yl)methyl]benzamide;2,5-dichloro-N-[[1-(cyclopropylmethyl)benzimidazol-2-yl]methyl]-N-prop-2-enylbenzamide;3,4-dichloro-N-[[1-(cyclopropylmethyl)benzimidazol-2-yl]methyl]-N-propylbenzamide is C=CCN(Cc1nc2ccccc2n1CC1CC1)C(=O)c1cc(Cl)ccc1Cl.C=CCN(Cc1nc2ccccc2n1CC1CC1)C(=O)c1cccc(Br)c1.CCCN(Cc1nc2ccccc2n1CC1CC1)C(=O)c1ccc(Cl)c(Cl)c1.CCCN(Cc1nc2ccccc2n1CC1CC1)C(=O)c1cccc(Br)c1.CCCn1c(CN(CC2CC2)C(=O)c2ccc(C)cc2)nc2ccccc21.CCCn1c(CN(CC2CC2)C(=O)c2cccc(C)c2)nc2ccccc21.CCCn1c(CN(CC2CC2)C(=O)c2ccccc2)nc2ccccc21.
What is the InChIKey of 3-bromo-N-[[1-(cyclopropylmethyl)benzimidazol-2-yl]methyl]-N-prop-2-enylbenzamide;3-bromo-N-[[1-(cyclopropylmethyl)benzimidazol-2-yl]methyl]-N-propylbenzamide;N-(cyclopropylmethyl)-3-methyl-N-[(1-propylbenzimidazol-2-yl)methyl]benzamide;N-(cyclopropylmethyl)-4-methyl-N-[(1-propylbenzimidazol-2-yl)methyl]benzamide;N-(cyclopropylmethyl)-N-[(1-propylbenzimidazol-2-yl)methyl]benzamide;2,5-dichloro-N-[[1-(cyclopropylmethyl)benzimidazol-2-yl]methyl]-N-prop-2-enylbenzamide;3,4-dichloro-N-[[1-(cyclopropylmethyl)benzimidazol-2-yl]methyl]-N-propylbenzamide?
The InChIKey is BMYLHPWMOAESBR-UHFFFAOYSA-N. The full InChI is InChI=1S/2C23H27N3O.C22H24BrN3O.C22H22BrN3O.C22H21Cl2N3O.C22H23Cl2N3O.C22H25N3O/c1-3-13-26-21-10-5-4-9-20(21)24-22(26)16-25(15-18-11-12-18)23(27)19-8-6-7-17(2)14-19;1-3-14-26-21-7-5-4-6-20(21)24-22(26)16-25(15-18-10-11-18)23(27)19-12-8-17(2)9-13-19;2*1-2-12-25(22(27)17-6-5-7-18(23)13-17)15-21-24-19-8-3-4-9-20(19)26(21)14-16-10-11-16;1-2-11-26(22(28)17-12-16(23)9-10-18(17)24)14-21-25-19-5-3-4-6-20(19)27(21)13-15-7-8-15;1-2-11-26(22(28)16-9-10-17(23)18(24)12-16)14-21-25-19-5-3-4-6-20(19)27(21)13-15-7-8-15;1-2-14-25-20-11-7-6-10-19(20)23-21(25)16-24(15-17-12-13-17)22(26)18-8-4-3-5-9-18/h4-10,14,18H,3,11-13,15-16H2,1-2H3;4-9,12-13,18H,3,10-11,14-16H2,1-2H3;3-9,13,16H,2,10-12,14-15H2,1H3;2-9,13,16H,1,10-12,14-15H2;2-6,9-10,12,15H,1,7-8,11,13-14H2;3-6,9-10,12,15H,2,7-8,11,13-14H2,1H3;3-11,17H,2,12-16H2,1H3.
What are the key properties of 3-bromo-N-[[1-(cyclopropylmethyl)benzimidazol-2-yl]methyl]-N-prop-2-enylbenzamide;3-bromo-N-[[1-(cyclopropylmethyl)benzimidazol-2-yl]methyl]-N-propylbenzamide;N-(cyclopropylmethyl)-3-methyl-N-[(1-propylbenzimidazol-2-yl)methyl]benzamide;N-(cyclopropylmethyl)-4-methyl-N-[(1-propylbenzimidazol-2-yl)methyl]benzamide;N-(cyclopropylmethyl)-N-[(1-propylbenzimidazol-2-yl)methyl]benzamide;2,5-dichloro-N-[[1-(cyclopropylmethyl)benzimidazol-2-yl]methyl]-N-prop-2-enylbenzamide;3,4-dichloro-N-[[1-(cyclopropylmethyl)benzimidazol-2-yl]methyl]-N-propylbenzamide?
3-bromo-N-[[1-(cyclopropylmethyl)benzimidazol-2-yl]methyl]-N-prop-2-enylbenzamide;3-bromo-N-[[1-(cyclopropylmethyl)benzimidazol-2-yl]methyl]-N-propylbenzamide;N-(cyclopropylmethyl)-3-methyl-N-[(1-propylbenzimidazol-2-yl)methyl]benzamide;N-(cyclopropylmethyl)-4-methyl-N-[(1-propylbenzimidazol-2-yl)methyl]benzamide;N-(cyclopropylmethyl)-N-[(1-propylbenzimidazol-2-yl)methyl]benzamide;2,5-dichloro-N-[[1-(cyclopropylmethyl)benzimidazol-2-yl]methyl]-N-prop-2-enylbenzamide;3,4-dichloro-N-[[1-(cyclopropylmethyl)benzimidazol-2-yl]methyl]-N-propylbenzamide has a molecular weight of 2751.83 g/mol, XLogP of 35.80, 49 rotatable bonds, 0 hydrogen bond donors, and 21 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-N-[[1-(cyclopropylmethyl)benzimidazol-2-yl]methyl]-N-prop-2-enylbenzamide;3-bromo-N-[[1-(cyclopropylmethyl)benzimidazol-2-yl]methyl]-N-propylbenzamide;N-(cyclopropylmethyl)-3-methyl-N-[(1-propylbenzimidazol-2-yl)methyl]benzamide;N-(cyclopropylmethyl)-4-methyl-N-[(1-propylbenzimidazol-2-yl)methyl]benzamide;N-(cyclopropylmethyl)-N-[(1-propylbenzimidazol-2-yl)methyl]benzamide;2,5-dichloro-N-[[1-(cyclopropylmethyl)benzimidazol-2-yl]methyl]-N-prop-2-enylbenzamide;3,4-dichloro-N-[[1-(cyclopropylmethyl)benzimidazol-2-yl]methyl]-N-propylbenzamide is sourced from PubChem (CID 157399316), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).