3-bromo-N-[[1-(cyclopropylmethyl)benzimidazol-2-yl]methyl]-4-fluoro-N-methylbenzamide;3-bromo-N-[[1-(cyclopropylmethyl)benzimidazol-2-yl]methyl]-4-fluoro-N-propylbenzamide;3-bromo-N-(cyclopropylmethyl)-4-fluoro-N-[(1-propylbenzimidazol-2-yl)methyl]benzamide;3-bromo-4-fluoro-N-(3-methylbutyl)-N-[(1-propylbenzimidazol-2-yl)methyl]benzamide;N-(cyclopropylmethyl)-3-iodo-N-[(1-propylbenzimidazol-2-yl)methyl]benzamide;3-iodo-N-pentyl-N-[(1-propylbenzimidazol-2-yl)methyl]benzamide

C132H144Br4F4I2N18O6 — CID 157468278

IUPAC3-bromo-N-[[1-(cyclopropylmethyl)benzimidazol-2-yl]methyl]-4-fluoro-N-methylbenzamide;3-bromo-N-[[1-(cyclopropylmethyl)benzimidazol-2-yl]methyl]-4-fluoro-N-propylbenzamide;3-bromo-N-(cyclopropylmethyl)-4-fluoro-N-[(1-propylbenzimidazol-2-yl)methyl]benzamide;3-bromo-4-fluoro-N-(3-methylbutyl)-N-[(1-propylbenzimidazol-2-yl)methyl]benzamide;N-(cyclopropylmethyl)-3-iodo-N-[(1-propylbenzimidazol-2-yl)methyl]benzamide;3-iodo-N-pentyl-N-[(1-propylbenzimidazol-2-yl)methyl]benzamide
SMILESCCCCCN(Cc1nc2ccccc2n1CCC)C(=O)c1cccc(I)c1.CCCN(Cc1nc2ccccc2n1CC1CC1)C(=O)c1ccc(F)c(Br)c1.CCCn1c(CN(CC2CC2)C(=O)c2ccc(F)c(Br)c2)nc2ccccc21.CCCn1c(CN(CC2CC2)C(=O)c2cccc(I)c2)nc2ccccc21.CCCn1c(CN(CCC(C)C)C(=O)c2ccc(F)c(Br)c2)nc2ccccc21.CN(Cc1nc2ccccc2n1CC1CC1)C(=O)c1ccc(F)c(Br)c1
InChIInChI=1S/C23H27BrFN3O.C23H28IN3O.2C22H23BrFN3O.C22H24IN3O.C20H19BrFN3O/c1-4-12-28-21-8-6-5-7-20(21)26-22(28)15-27(13-11-16(2)3)23(29)17-9-10-19(25)18(24)14-17;1-3-5-8-15-26(23(28)18-10-9-11-19(24)16-18)17-22-25-20-12-6-7-13-21(20)27(22)14-4-2;1-2-11-27-20-6-4-3-5-19(20)25-21(27)14-26(13-15-7-8-15)22(28)16-9-10-18(24)17(23)12-16;1-2-11-26(22(28)16-9-10-18(24)17(23)12-16)14-21-25-19-5-3-4-6-20(19)27(21)13-15-7-8-15;1-2-12-26-20-9-4-3-8-19(20)24-21(26)15-25(14-16-10-11-16)22(27)17-6-5-7-18(23)13-17;1-24(20(26)14-8-9-16(22)15(21)10-14)12-19-23-17-4-2-3-5-18(17)25(19)11-13-6-7-13/h5-10,14,16H,4,11-13,15H2,1-3H3;6-7,9-13,16H,3-5,8,14-15,17H2,1-2H3;2*3-6,9-10,12,15H,2,7-8,11,13-14H2,1H3;3-9,13,16H,2,10-12,14-15H2,1H3;2-5,8-10,13H,6-7,11-12H2,1H3
InChIKeyBUSOWOVZYQCYMQ-UHFFFAOYSA-N
MW2728.14 g/mol
LogP32.44
Rot. Bonds43

About 3-bromo-N-[[1-(cyclopropylmethyl)benzimidazol-2-yl]methyl]-4-fluoro-N-methylbenzamide;3-bromo-N-[[1-(cyclopropylmethyl)benzimidazol-2-yl]methyl]-4-fluoro-N-propylbenzamide;3-bromo-N-(cyclopropylmethyl)-4-fluoro-N-[(1-propylbenzimidazol-2-yl)methyl]benzamide;3-bromo-4-fluoro-N-(3-methylbutyl)-N-[(1-propylbenzimidazol-2-yl)methyl]benzamide;N-(cyclopropylmethyl)-3-iodo-N-[(1-propylbenzimidazol-2-yl)methyl]benzamide;3-iodo-N-pentyl-N-[(1-propylbenzimidazol-2-yl)methyl]benzamide

3-bromo-N-[[1-(cyclopropylmethyl)benzimidazol-2-yl]methyl]-4-fluoro-N-methylbenzamide;3-bromo-N-[[1-(cyclopropylmethyl)benzimidazol-2-yl]methyl]-4-fluoro-N-propylbenzamide;3-bromo-N-(cyclopropylmethyl)-4-fluoro-N-[(1-propylbenzimidazol-2-yl)methyl]benzamide;3-bromo-4-fluoro-N-(3-methylbutyl)-N-[(1-propylbenzimidazol-2-yl)methyl]benzamide;N-(cyclopropylmethyl)-3-iodo-N-[(1-propylbenzimidazol-2-yl)methyl]benzamide;3-iodo-N-pentyl-N-[(1-propylbenzimidazol-2-yl)methyl]benzamide (PubChem CID 157468278) has the molecular formula C132H144Br4F4I2N18O6 and a molecular weight of 2728.14 g/mol. Its IUPAC name is 3-bromo-N-[[1-(cyclopropylmethyl)benzimidazol-2-yl]methyl]-4-fluoro-N-methylbenzamide;3-bromo-N-[[1-(cyclopropylmethyl)benzimidazol-2-yl]methyl]-4-fluoro-N-propylbenzamide;3-bromo-N-(cyclopropylmethyl)-4-fluoro-N-[(1-propylbenzimidazol-2-yl)methyl]benzamide;3-bromo-4-fluoro-N-(3-methylbutyl)-N-[(1-propylbenzimidazol-2-yl)methyl]benzamide;N-(cyclopropylmethyl)-3-iodo-N-[(1-propylbenzimidazol-2-yl)methyl]benzamide;3-iodo-N-pentyl-N-[(1-propylbenzimidazol-2-yl)methyl]benzamide.

Molecular Properties

Compound Name3-bromo-N-[[1-(cyclopropylmethyl)benzimidazol-2-yl]methyl]-4-fluoro-N-methylbenzamide;3-bromo-N-[[1-(cyclopropylmethyl)benzimidazol-2-yl]methyl]-4-fluoro-N-propylbenzamide;3-bromo-N-(cyclopropylmethyl)-4-fluoro-N-[(1-propylbenzimidazol-2-yl)methyl]benzamide;3-bromo-4-fluoro-N-(3-methylbutyl)-N-[(1-propylbenzimidazol-2-yl)methyl]benzamide;N-(cyclopropylmethyl)-3-iodo-N-[(1-propylbenzimidazol-2-yl)methyl]benzamide;3-iodo-N-pentyl-N-[(1-propylbenzimidazol-2-yl)methyl]benzamide
PubChem CID157468278
Molecular FormulaC132H144Br4F4I2N18O6
Molecular Weight2728.14 g/mol
Exact Mass2722.63
IUPAC Name3-bromo-N-[[1-(cyclopropylmethyl)benzimidazol-2-yl]methyl]-4-fluoro-N-methylbenzamide;3-bromo-N-[[1-(cyclopropylmethyl)benzimidazol-2-yl]methyl]-4-fluoro-N-propylbenzamide;3-bromo-N-(cyclopropylmethyl)-4-fluoro-N-[(1-propylbenzimidazol-2-yl)methyl]benzamide;3-bromo-4-fluoro-N-(3-methylbutyl)-N-[(1-propylbenzimidazol-2-yl)methyl]benzamide;N-(cyclopropylmethyl)-3-iodo-N-[(1-propylbenzimidazol-2-yl)methyl]benzamide;3-iodo-N-pentyl-N-[(1-propylbenzimidazol-2-yl)methyl]benzamide
SMILESCCCCCN(Cc1nc2ccccc2n1CCC)C(=O)c1cccc(I)c1.CCCN(Cc1nc2ccccc2n1CC1CC1)C(=O)c1ccc(F)c(Br)c1.CCCn1c(CN(CC2CC2)C(=O)c2ccc(F)c(Br)c2)nc2ccccc21.CCCn1c(CN(CC2CC2)C(=O)c2cccc(I)c2)nc2ccccc21.CCCn1c(CN(CCC(C)C)C(=O)c2ccc(F)c(Br)c2)nc2ccccc21.CN(Cc1nc2ccccc2n1CC1CC1)C(=O)c1ccc(F)c(Br)c1
InChIInChI=1S/C23H27BrFN3O.C23H28IN3O.2C22H23BrFN3O.C22H24IN3O.C20H19BrFN3O/c1-4-12-28-21-8-6-5-7-20(21)26-22(28)15-27(13-11-16(2)3)23(29)17-9-10-19(25)18(24)14-17;1-3-5-8-15-26(23(28)18-10-9-11-19(24)16-18)17-22-25-20-12-6-7-13-21(20)27(22)14-4-2;1-2-11-27-20-6-4-3-5-19(20)25-21(27)14-26(13-15-7-8-15)22(28)16-9-10-18(24)17(23)12-16;1-2-11-26(22(28)16-9-10-18(24)17(23)12-16)14-21-25-19-5-3-4-6-20(19)27(21)13-15-7-8-15;1-2-12-26-20-9-4-3-8-19(20)24-21(26)15-25(14-16-10-11-16)22(27)17-6-5-7-18(23)13-17;1-24(20(26)14-8-9-16(22)15(21)10-14)12-19-23-17-4-2-3-5-18(17)25(19)11-13-6-7-13/h5-10,14,16H,4,11-13,15H2,1-3H3;6-7,9-13,16H,3-5,8,14-15,17H2,1-2H3;2*3-6,9-10,12,15H,2,7-8,11,13-14H2,1H3;3-9,13,16H,2,10-12,14-15H2,1H3;2-5,8-10,13H,6-7,11-12H2,1H3
InChIKeyBUSOWOVZYQCYMQ-UHFFFAOYSA-N
XLogP32.44
TPSA228.78 Ų
H-Bond Donors
H-Bond Acceptors18
Rotatable Bonds43
Heavy Atoms166
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002728.14
LogP ≤ 532.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1018

Computed Properties (RDKit)

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

Analyze 3-bromo-N-[[1-(cyclopropylmethyl)benzimidazol-2-yl]methyl]-4-fluoro-N-methylbenzamide;3-bromo-N-[[1-(cyclopropylmethyl)benzimidazol-2-yl]methyl]-4-fluoro-N-propylbenzamide;3-bromo-N-(cyclopropylmethyl)-4-fluoro-N-[(1-propylbenzimidazol-2-yl)methyl]benzamide;3-bromo-4-fluoro-N-(3-methylbutyl)-N-[(1-propylbenzimidazol-2-yl)methyl]benzamide;N-(cyclopropylmethyl)-3-iodo-N-[(1-propylbenzimidazol-2-yl)methyl]benzamide;3-iodo-N-pentyl-N-[(1-propylbenzimidazol-2-yl)methyl]benzamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of 3-bromo-N-[[1-(cyclopropylmethyl)benzimidazol-2-yl]methyl]-4-fluoro-N-methylbenzamide;3-bromo-N-[[1-(cyclopropylmethyl)benzimidazol-2-yl]methyl]-4-fluoro-N-propylbenzamide;3-bromo-N-(cyclopropylmethyl)-4-fluoro-N-[(1-propylbenzimidazol-2-yl)methyl]benzamide;3-bromo-4-fluoro-N-(3-methylbutyl)-N-[(1-propylbenzimidazol-2-yl)methyl]benzamide;N-(cyclopropylmethyl)-3-iodo-N-[(1-propylbenzimidazol-2-yl)methyl]benzamide;3-iodo-N-pentyl-N-[(1-propylbenzimidazol-2-yl)methyl]benzamide?
The IUPAC name of 3-bromo-N-[[1-(cyclopropylmethyl)benzimidazol-2-yl]methyl]-4-fluoro-N-methylbenzamide;3-bromo-N-[[1-(cyclopropylmethyl)benzimidazol-2-yl]methyl]-4-fluoro-N-propylbenzamide;3-bromo-N-(cyclopropylmethyl)-4-fluoro-N-[(1-propylbenzimidazol-2-yl)methyl]benzamide;3-bromo-4-fluoro-N-(3-methylbutyl)-N-[(1-propylbenzimidazol-2-yl)methyl]benzamide;N-(cyclopropylmethyl)-3-iodo-N-[(1-propylbenzimidazol-2-yl)methyl]benzamide;3-iodo-N-pentyl-N-[(1-propylbenzimidazol-2-yl)methyl]benzamide (CID 157468278) is 3-bromo-N-[[1-(cyclopropylmethyl)benzimidazol-2-yl]methyl]-4-fluoro-N-methylbenzamide;3-bromo-N-[[1-(cyclopropylmethyl)benzimidazol-2-yl]methyl]-4-fluoro-N-propylbenzamide;3-bromo-N-(cyclopropylmethyl)-4-fluoro-N-[(1-propylbenzimidazol-2-yl)methyl]benzamide;3-bromo-4-fluoro-N-(3-methylbutyl)-N-[(1-propylbenzimidazol-2-yl)methyl]benzamide;N-(cyclopropylmethyl)-3-iodo-N-[(1-propylbenzimidazol-2-yl)methyl]benzamide;3-iodo-N-pentyl-N-[(1-propylbenzimidazol-2-yl)methyl]benzamide.
What is the SMILES notation for 3-bromo-N-[[1-(cyclopropylmethyl)benzimidazol-2-yl]methyl]-4-fluoro-N-methylbenzamide;3-bromo-N-[[1-(cyclopropylmethyl)benzimidazol-2-yl]methyl]-4-fluoro-N-propylbenzamide;3-bromo-N-(cyclopropylmethyl)-4-fluoro-N-[(1-propylbenzimidazol-2-yl)methyl]benzamide;3-bromo-4-fluoro-N-(3-methylbutyl)-N-[(1-propylbenzimidazol-2-yl)methyl]benzamide;N-(cyclopropylmethyl)-3-iodo-N-[(1-propylbenzimidazol-2-yl)methyl]benzamide;3-iodo-N-pentyl-N-[(1-propylbenzimidazol-2-yl)methyl]benzamide?
The canonical SMILES for 3-bromo-N-[[1-(cyclopropylmethyl)benzimidazol-2-yl]methyl]-4-fluoro-N-methylbenzamide;3-bromo-N-[[1-(cyclopropylmethyl)benzimidazol-2-yl]methyl]-4-fluoro-N-propylbenzamide;3-bromo-N-(cyclopropylmethyl)-4-fluoro-N-[(1-propylbenzimidazol-2-yl)methyl]benzamide;3-bromo-4-fluoro-N-(3-methylbutyl)-N-[(1-propylbenzimidazol-2-yl)methyl]benzamide;N-(cyclopropylmethyl)-3-iodo-N-[(1-propylbenzimidazol-2-yl)methyl]benzamide;3-iodo-N-pentyl-N-[(1-propylbenzimidazol-2-yl)methyl]benzamide is CCCCCN(Cc1nc2ccccc2n1CCC)C(=O)c1cccc(I)c1.CCCN(Cc1nc2ccccc2n1CC1CC1)C(=O)c1ccc(F)c(Br)c1.CCCn1c(CN(CC2CC2)C(=O)c2ccc(F)c(Br)c2)nc2ccccc21.CCCn1c(CN(CC2CC2)C(=O)c2cccc(I)c2)nc2ccccc21.CCCn1c(CN(CCC(C)C)C(=O)c2ccc(F)c(Br)c2)nc2ccccc21.CN(Cc1nc2ccccc2n1CC1CC1)C(=O)c1ccc(F)c(Br)c1.
What is the InChIKey of 3-bromo-N-[[1-(cyclopropylmethyl)benzimidazol-2-yl]methyl]-4-fluoro-N-methylbenzamide;3-bromo-N-[[1-(cyclopropylmethyl)benzimidazol-2-yl]methyl]-4-fluoro-N-propylbenzamide;3-bromo-N-(cyclopropylmethyl)-4-fluoro-N-[(1-propylbenzimidazol-2-yl)methyl]benzamide;3-bromo-4-fluoro-N-(3-methylbutyl)-N-[(1-propylbenzimidazol-2-yl)methyl]benzamide;N-(cyclopropylmethyl)-3-iodo-N-[(1-propylbenzimidazol-2-yl)methyl]benzamide;3-iodo-N-pentyl-N-[(1-propylbenzimidazol-2-yl)methyl]benzamide?
The InChIKey is BUSOWOVZYQCYMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H27BrFN3O.C23H28IN3O.2C22H23BrFN3O.C22H24IN3O.C20H19BrFN3O/c1-4-12-28-21-8-6-5-7-20(21)26-22(28)15-27(13-11-16(2)3)23(29)17-9-10-19(25)18(24)14-17;1-3-5-8-15-26(23(28)18-10-9-11-19(24)16-18)17-22-25-20-12-6-7-13-21(20)27(22)14-4-2;1-2-11-27-20-6-4-3-5-19(20)25-21(27)14-26(13-15-7-8-15)22(28)16-9-10-18(24)17(23)12-16;1-2-11-26(22(28)16-9-10-18(24)17(23)12-16)14-21-25-19-5-3-4-6-20(19)27(21)13-15-7-8-15;1-2-12-26-20-9-4-3-8-19(20)24-21(26)15-25(14-16-10-11-16)22(27)17-6-5-7-18(23)13-17;1-24(20(26)14-8-9-16(22)15(21)10-14)12-19-23-17-4-2-3-5-18(17)25(19)11-13-6-7-13/h5-10,14,16H,4,11-13,15H2,1-3H3;6-7,9-13,16H,3-5,8,14-15,17H2,1-2H3;2*3-6,9-10,12,15H,2,7-8,11,13-14H2,1H3;3-9,13,16H,2,10-12,14-15H2,1H3;2-5,8-10,13H,6-7,11-12H2,1H3.
What are the key properties of 3-bromo-N-[[1-(cyclopropylmethyl)benzimidazol-2-yl]methyl]-4-fluoro-N-methylbenzamide;3-bromo-N-[[1-(cyclopropylmethyl)benzimidazol-2-yl]methyl]-4-fluoro-N-propylbenzamide;3-bromo-N-(cyclopropylmethyl)-4-fluoro-N-[(1-propylbenzimidazol-2-yl)methyl]benzamide;3-bromo-4-fluoro-N-(3-methylbutyl)-N-[(1-propylbenzimidazol-2-yl)methyl]benzamide;N-(cyclopropylmethyl)-3-iodo-N-[(1-propylbenzimidazol-2-yl)methyl]benzamide;3-iodo-N-pentyl-N-[(1-propylbenzimidazol-2-yl)methyl]benzamide?
3-bromo-N-[[1-(cyclopropylmethyl)benzimidazol-2-yl]methyl]-4-fluoro-N-methylbenzamide;3-bromo-N-[[1-(cyclopropylmethyl)benzimidazol-2-yl]methyl]-4-fluoro-N-propylbenzamide;3-bromo-N-(cyclopropylmethyl)-4-fluoro-N-[(1-propylbenzimidazol-2-yl)methyl]benzamide;3-bromo-4-fluoro-N-(3-methylbutyl)-N-[(1-propylbenzimidazol-2-yl)methyl]benzamide;N-(cyclopropylmethyl)-3-iodo-N-[(1-propylbenzimidazol-2-yl)methyl]benzamide;3-iodo-N-pentyl-N-[(1-propylbenzimidazol-2-yl)methyl]benzamide has a molecular weight of 2728.14 g/mol, XLogP of 32.44, 43 rotatable bonds, 0 hydrogen bond donors, and 18 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-N-[[1-(cyclopropylmethyl)benzimidazol-2-yl]methyl]-4-fluoro-N-methylbenzamide;3-bromo-N-[[1-(cyclopropylmethyl)benzimidazol-2-yl]methyl]-4-fluoro-N-propylbenzamide;3-bromo-N-(cyclopropylmethyl)-4-fluoro-N-[(1-propylbenzimidazol-2-yl)methyl]benzamide;3-bromo-4-fluoro-N-(3-methylbutyl)-N-[(1-propylbenzimidazol-2-yl)methyl]benzamide;N-(cyclopropylmethyl)-3-iodo-N-[(1-propylbenzimidazol-2-yl)methyl]benzamide;3-iodo-N-pentyl-N-[(1-propylbenzimidazol-2-yl)methyl]benzamide is sourced from PubChem (CID 157468278), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).