3-chloro-N-(2-methylpropyl)-N-[(1-prop-2-enylbenzimidazol-2-yl)methyl]benzamide;4-chloro-N-(2-methylpropyl)-N-[(1-prop-2-enylbenzimidazol-2-yl)methyl]benzamide;N-[(6-chloro-1-prop-2-enylbenzimidazol-2-yl)methyl]-N-cyclopentyl-3-fluoro-4-methylbenzamide;2-fluoro-3-methyl-N-(2-methylpropyl)-N-[(1-prop-2-enylbenzimidazol-2-yl)methyl]benzamide;5-fluoro-2-methyl-N-(2-methylpropyl)-N-[(1-prop-2-enylbenzimidazol-2-yl)methyl]benzamide;3-fluoro-4-methyl-N-(2-methylpropyl)-N-[(1-propylbenzimidazol-2-yl)methyl]benzamide

C137H153Cl3F4N18O6 — CID 157484934

IUPAC3-chloro-N-(2-methylpropyl)-N-[(1-prop-2-enylbenzimidazol-2-yl)methyl]benzamide;4-chloro-N-(2-methylpropyl)-N-[(1-prop-2-enylbenzimidazol-2-yl)methyl]benzamide;N-[(6-chloro-1-prop-2-enylbenzimidazol-2-yl)methyl]-N-cyclopentyl-3-fluoro-4-methylbenzamide;2-fluoro-3-methyl-N-(2-methylpropyl)-N-[(1-prop-2-enylbenzimidazol-2-yl)methyl]benzamide;5-fluoro-2-methyl-N-(2-methylpropyl)-N-[(1-prop-2-enylbenzimidazol-2-yl)methyl]benzamide;3-fluoro-4-methyl-N-(2-methylpropyl)-N-[(1-propylbenzimidazol-2-yl)methyl]benzamide
SMILESC=CCn1c(CN(C(=O)c2ccc(C)c(F)c2)C2CCCC2)nc2ccc(Cl)cc21.C=CCn1c(CN(CC(C)C)C(=O)c2cc(F)ccc2C)nc2ccccc21.C=CCn1c(CN(CC(C)C)C(=O)c2ccc(Cl)cc2)nc2ccccc21.C=CCn1c(CN(CC(C)C)C(=O)c2cccc(C)c2F)nc2ccccc21.C=CCn1c(CN(CC(C)C)C(=O)c2cccc(Cl)c2)nc2ccccc21.CCCn1c(CN(CC(C)C)C(=O)c2ccc(C)c(F)c2)nc2ccccc21
InChIInChI=1S/C24H25ClFN3O.2C23H26FN3O.C23H28FN3O.2C22H24ClN3O/c1-3-12-28-22-14-18(25)10-11-21(22)27-23(28)15-29(19-6-4-5-7-19)24(30)17-9-8-16(2)20(26)13-17;1-5-13-27-20-12-7-6-11-19(20)25-21(27)15-26(14-16(2)3)23(28)18-10-8-9-17(4)22(18)24;1-5-12-27-21-9-7-6-8-20(21)25-22(27)15-26(14-16(2)3)23(28)19-13-18(24)11-10-17(19)4;1-5-12-27-21-9-7-6-8-20(21)25-22(27)15-26(14-16(2)3)23(28)18-11-10-17(4)19(24)13-18;1-4-12-26-20-11-6-5-10-19(20)24-21(26)15-25(14-16(2)3)22(27)17-8-7-9-18(23)13-17;1-4-13-26-20-8-6-5-7-19(20)24-21(26)15-25(14-16(2)3)22(27)17-9-11-18(23)12-10-17/h3,8-11,13-14,19H,1,4-7,12,15H2,2H3;5-12,16H,1,13-15H2,2-4H3;5-11,13,16H,1,12,14-15H2,2-4H3;6-11,13,16H,5,12,14-15H2,1-4H3;4-11,13,16H,1,12,14-15H2,2-3H3;4-12,16H,1,13-15H2,2-3H3
InChIKeyBWPFXCDGZJWZSY-UHFFFAOYSA-N
MW2330.20 g/mol
LogP31.39
Rot. Bonds41

About 3-chloro-N-(2-methylpropyl)-N-[(1-prop-2-enylbenzimidazol-2-yl)methyl]benzamide;4-chloro-N-(2-methylpropyl)-N-[(1-prop-2-enylbenzimidazol-2-yl)methyl]benzamide;N-[(6-chloro-1-prop-2-enylbenzimidazol-2-yl)methyl]-N-cyclopentyl-3-fluoro-4-methylbenzamide;2-fluoro-3-methyl-N-(2-methylpropyl)-N-[(1-prop-2-enylbenzimidazol-2-yl)methyl]benzamide;5-fluoro-2-methyl-N-(2-methylpropyl)-N-[(1-prop-2-enylbenzimidazol-2-yl)methyl]benzamide;3-fluoro-4-methyl-N-(2-methylpropyl)-N-[(1-propylbenzimidazol-2-yl)methyl]benzamide

3-chloro-N-(2-methylpropyl)-N-[(1-prop-2-enylbenzimidazol-2-yl)methyl]benzamide;4-chloro-N-(2-methylpropyl)-N-[(1-prop-2-enylbenzimidazol-2-yl)methyl]benzamide;N-[(6-chloro-1-prop-2-enylbenzimidazol-2-yl)methyl]-N-cyclopentyl-3-fluoro-4-methylbenzamide;2-fluoro-3-methyl-N-(2-methylpropyl)-N-[(1-prop-2-enylbenzimidazol-2-yl)methyl]benzamide;5-fluoro-2-methyl-N-(2-methylpropyl)-N-[(1-prop-2-enylbenzimidazol-2-yl)methyl]benzamide;3-fluoro-4-methyl-N-(2-methylpropyl)-N-[(1-propylbenzimidazol-2-yl)methyl]benzamide (PubChem CID 157484934) has the molecular formula C137H153Cl3F4N18O6 and a molecular weight of 2330.20 g/mol. Its IUPAC name is 3-chloro-N-(2-methylpropyl)-N-[(1-prop-2-enylbenzimidazol-2-yl)methyl]benzamide;4-chloro-N-(2-methylpropyl)-N-[(1-prop-2-enylbenzimidazol-2-yl)methyl]benzamide;N-[(6-chloro-1-prop-2-enylbenzimidazol-2-yl)methyl]-N-cyclopentyl-3-fluoro-4-methylbenzamide;2-fluoro-3-methyl-N-(2-methylpropyl)-N-[(1-prop-2-enylbenzimidazol-2-yl)methyl]benzamide;5-fluoro-2-methyl-N-(2-methylpropyl)-N-[(1-prop-2-enylbenzimidazol-2-yl)methyl]benzamide;3-fluoro-4-methyl-N-(2-methylpropyl)-N-[(1-propylbenzimidazol-2-yl)methyl]benzamide.

Molecular Properties

Compound Name3-chloro-N-(2-methylpropyl)-N-[(1-prop-2-enylbenzimidazol-2-yl)methyl]benzamide;4-chloro-N-(2-methylpropyl)-N-[(1-prop-2-enylbenzimidazol-2-yl)methyl]benzamide;N-[(6-chloro-1-prop-2-enylbenzimidazol-2-yl)methyl]-N-cyclopentyl-3-fluoro-4-methylbenzamide;2-fluoro-3-methyl-N-(2-methylpropyl)-N-[(1-prop-2-enylbenzimidazol-2-yl)methyl]benzamide;5-fluoro-2-methyl-N-(2-methylpropyl)-N-[(1-prop-2-enylbenzimidazol-2-yl)methyl]benzamide;3-fluoro-4-methyl-N-(2-methylpropyl)-N-[(1-propylbenzimidazol-2-yl)methyl]benzamide
PubChem CID157484934
Molecular FormulaC137H153Cl3F4N18O6
Molecular Weight2330.20 g/mol
Exact Mass2327.12
IUPAC Name3-chloro-N-(2-methylpropyl)-N-[(1-prop-2-enylbenzimidazol-2-yl)methyl]benzamide;4-chloro-N-(2-methylpropyl)-N-[(1-prop-2-enylbenzimidazol-2-yl)methyl]benzamide;N-[(6-chloro-1-prop-2-enylbenzimidazol-2-yl)methyl]-N-cyclopentyl-3-fluoro-4-methylbenzamide;2-fluoro-3-methyl-N-(2-methylpropyl)-N-[(1-prop-2-enylbenzimidazol-2-yl)methyl]benzamide;5-fluoro-2-methyl-N-(2-methylpropyl)-N-[(1-prop-2-enylbenzimidazol-2-yl)methyl]benzamide;3-fluoro-4-methyl-N-(2-methylpropyl)-N-[(1-propylbenzimidazol-2-yl)methyl]benzamide
SMILESC=CCn1c(CN(C(=O)c2ccc(C)c(F)c2)C2CCCC2)nc2ccc(Cl)cc21.C=CCn1c(CN(CC(C)C)C(=O)c2cc(F)ccc2C)nc2ccccc21.C=CCn1c(CN(CC(C)C)C(=O)c2ccc(Cl)cc2)nc2ccccc21.C=CCn1c(CN(CC(C)C)C(=O)c2cccc(C)c2F)nc2ccccc21.C=CCn1c(CN(CC(C)C)C(=O)c2cccc(Cl)c2)nc2ccccc21.CCCn1c(CN(CC(C)C)C(=O)c2ccc(C)c(F)c2)nc2ccccc21
InChIInChI=1S/C24H25ClFN3O.2C23H26FN3O.C23H28FN3O.2C22H24ClN3O/c1-3-12-28-22-14-18(25)10-11-21(22)27-23(28)15-29(19-6-4-5-7-19)24(30)17-9-8-16(2)20(26)13-17;1-5-13-27-20-12-7-6-11-19(20)25-21(27)15-26(14-16(2)3)23(28)18-10-8-9-17(4)22(18)24;1-5-12-27-21-9-7-6-8-20(21)25-22(27)15-26(14-16(2)3)23(28)19-13-18(24)11-10-17(19)4;1-5-12-27-21-9-7-6-8-20(21)25-22(27)15-26(14-16(2)3)23(28)18-11-10-17(4)19(24)13-18;1-4-12-26-20-11-6-5-10-19(20)24-21(26)15-25(14-16(2)3)22(27)17-8-7-9-18(23)13-17;1-4-13-26-20-8-6-5-7-19(20)24-21(26)15-25(14-16(2)3)22(27)17-9-11-18(23)12-10-17/h3,8-11,13-14,19H,1,4-7,12,15H2,2H3;5-12,16H,1,13-15H2,2-4H3;5-11,13,16H,1,12,14-15H2,2-4H3;6-11,13,16H,5,12,14-15H2,1-4H3;4-11,13,16H,1,12,14-15H2,2-3H3;4-12,16H,1,13-15H2,2-3H3
InChIKeyBWPFXCDGZJWZSY-UHFFFAOYSA-N
XLogP31.39
TPSA228.78 Ų
H-Bond Donors
H-Bond Acceptors18
Rotatable Bonds41
Heavy Atoms168
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002330.20
LogP ≤ 531.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1018

Computed Properties (RDKit)

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

Analyze 3-chloro-N-(2-methylpropyl)-N-[(1-prop-2-enylbenzimidazol-2-yl)methyl]benzamide;4-chloro-N-(2-methylpropyl)-N-[(1-prop-2-enylbenzimidazol-2-yl)methyl]benzamide;N-[(6-chloro-1-prop-2-enylbenzimidazol-2-yl)methyl]-N-cyclopentyl-3-fluoro-4-methylbenzamide;2-fluoro-3-methyl-N-(2-methylpropyl)-N-[(1-prop-2-enylbenzimidazol-2-yl)methyl]benzamide;5-fluoro-2-methyl-N-(2-methylpropyl)-N-[(1-prop-2-enylbenzimidazol-2-yl)methyl]benzamide;3-fluoro-4-methyl-N-(2-methylpropyl)-N-[(1-propylbenzimidazol-2-yl)methyl]benzamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of 3-chloro-N-(2-methylpropyl)-N-[(1-prop-2-enylbenzimidazol-2-yl)methyl]benzamide;4-chloro-N-(2-methylpropyl)-N-[(1-prop-2-enylbenzimidazol-2-yl)methyl]benzamide;N-[(6-chloro-1-prop-2-enylbenzimidazol-2-yl)methyl]-N-cyclopentyl-3-fluoro-4-methylbenzamide;2-fluoro-3-methyl-N-(2-methylpropyl)-N-[(1-prop-2-enylbenzimidazol-2-yl)methyl]benzamide;5-fluoro-2-methyl-N-(2-methylpropyl)-N-[(1-prop-2-enylbenzimidazol-2-yl)methyl]benzamide;3-fluoro-4-methyl-N-(2-methylpropyl)-N-[(1-propylbenzimidazol-2-yl)methyl]benzamide?
The IUPAC name of 3-chloro-N-(2-methylpropyl)-N-[(1-prop-2-enylbenzimidazol-2-yl)methyl]benzamide;4-chloro-N-(2-methylpropyl)-N-[(1-prop-2-enylbenzimidazol-2-yl)methyl]benzamide;N-[(6-chloro-1-prop-2-enylbenzimidazol-2-yl)methyl]-N-cyclopentyl-3-fluoro-4-methylbenzamide;2-fluoro-3-methyl-N-(2-methylpropyl)-N-[(1-prop-2-enylbenzimidazol-2-yl)methyl]benzamide;5-fluoro-2-methyl-N-(2-methylpropyl)-N-[(1-prop-2-enylbenzimidazol-2-yl)methyl]benzamide;3-fluoro-4-methyl-N-(2-methylpropyl)-N-[(1-propylbenzimidazol-2-yl)methyl]benzamide (CID 157484934) is 3-chloro-N-(2-methylpropyl)-N-[(1-prop-2-enylbenzimidazol-2-yl)methyl]benzamide;4-chloro-N-(2-methylpropyl)-N-[(1-prop-2-enylbenzimidazol-2-yl)methyl]benzamide;N-[(6-chloro-1-prop-2-enylbenzimidazol-2-yl)methyl]-N-cyclopentyl-3-fluoro-4-methylbenzamide;2-fluoro-3-methyl-N-(2-methylpropyl)-N-[(1-prop-2-enylbenzimidazol-2-yl)methyl]benzamide;5-fluoro-2-methyl-N-(2-methylpropyl)-N-[(1-prop-2-enylbenzimidazol-2-yl)methyl]benzamide;3-fluoro-4-methyl-N-(2-methylpropyl)-N-[(1-propylbenzimidazol-2-yl)methyl]benzamide.
What is the SMILES notation for 3-chloro-N-(2-methylpropyl)-N-[(1-prop-2-enylbenzimidazol-2-yl)methyl]benzamide;4-chloro-N-(2-methylpropyl)-N-[(1-prop-2-enylbenzimidazol-2-yl)methyl]benzamide;N-[(6-chloro-1-prop-2-enylbenzimidazol-2-yl)methyl]-N-cyclopentyl-3-fluoro-4-methylbenzamide;2-fluoro-3-methyl-N-(2-methylpropyl)-N-[(1-prop-2-enylbenzimidazol-2-yl)methyl]benzamide;5-fluoro-2-methyl-N-(2-methylpropyl)-N-[(1-prop-2-enylbenzimidazol-2-yl)methyl]benzamide;3-fluoro-4-methyl-N-(2-methylpropyl)-N-[(1-propylbenzimidazol-2-yl)methyl]benzamide?
The canonical SMILES for 3-chloro-N-(2-methylpropyl)-N-[(1-prop-2-enylbenzimidazol-2-yl)methyl]benzamide;4-chloro-N-(2-methylpropyl)-N-[(1-prop-2-enylbenzimidazol-2-yl)methyl]benzamide;N-[(6-chloro-1-prop-2-enylbenzimidazol-2-yl)methyl]-N-cyclopentyl-3-fluoro-4-methylbenzamide;2-fluoro-3-methyl-N-(2-methylpropyl)-N-[(1-prop-2-enylbenzimidazol-2-yl)methyl]benzamide;5-fluoro-2-methyl-N-(2-methylpropyl)-N-[(1-prop-2-enylbenzimidazol-2-yl)methyl]benzamide;3-fluoro-4-methyl-N-(2-methylpropyl)-N-[(1-propylbenzimidazol-2-yl)methyl]benzamide is C=CCn1c(CN(C(=O)c2ccc(C)c(F)c2)C2CCCC2)nc2ccc(Cl)cc21.C=CCn1c(CN(CC(C)C)C(=O)c2cc(F)ccc2C)nc2ccccc21.C=CCn1c(CN(CC(C)C)C(=O)c2ccc(Cl)cc2)nc2ccccc21.C=CCn1c(CN(CC(C)C)C(=O)c2cccc(C)c2F)nc2ccccc21.C=CCn1c(CN(CC(C)C)C(=O)c2cccc(Cl)c2)nc2ccccc21.CCCn1c(CN(CC(C)C)C(=O)c2ccc(C)c(F)c2)nc2ccccc21.
What is the InChIKey of 3-chloro-N-(2-methylpropyl)-N-[(1-prop-2-enylbenzimidazol-2-yl)methyl]benzamide;4-chloro-N-(2-methylpropyl)-N-[(1-prop-2-enylbenzimidazol-2-yl)methyl]benzamide;N-[(6-chloro-1-prop-2-enylbenzimidazol-2-yl)methyl]-N-cyclopentyl-3-fluoro-4-methylbenzamide;2-fluoro-3-methyl-N-(2-methylpropyl)-N-[(1-prop-2-enylbenzimidazol-2-yl)methyl]benzamide;5-fluoro-2-methyl-N-(2-methylpropyl)-N-[(1-prop-2-enylbenzimidazol-2-yl)methyl]benzamide;3-fluoro-4-methyl-N-(2-methylpropyl)-N-[(1-propylbenzimidazol-2-yl)methyl]benzamide?
The InChIKey is BWPFXCDGZJWZSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25ClFN3O.2C23H26FN3O.C23H28FN3O.2C22H24ClN3O/c1-3-12-28-22-14-18(25)10-11-21(22)27-23(28)15-29(19-6-4-5-7-19)24(30)17-9-8-16(2)20(26)13-17;1-5-13-27-20-12-7-6-11-19(20)25-21(27)15-26(14-16(2)3)23(28)18-10-8-9-17(4)22(18)24;1-5-12-27-21-9-7-6-8-20(21)25-22(27)15-26(14-16(2)3)23(28)19-13-18(24)11-10-17(19)4;1-5-12-27-21-9-7-6-8-20(21)25-22(27)15-26(14-16(2)3)23(28)18-11-10-17(4)19(24)13-18;1-4-12-26-20-11-6-5-10-19(20)24-21(26)15-25(14-16(2)3)22(27)17-8-7-9-18(23)13-17;1-4-13-26-20-8-6-5-7-19(20)24-21(26)15-25(14-16(2)3)22(27)17-9-11-18(23)12-10-17/h3,8-11,13-14,19H,1,4-7,12,15H2,2H3;5-12,16H,1,13-15H2,2-4H3;5-11,13,16H,1,12,14-15H2,2-4H3;6-11,13,16H,5,12,14-15H2,1-4H3;4-11,13,16H,1,12,14-15H2,2-3H3;4-12,16H,1,13-15H2,2-3H3.
What are the key properties of 3-chloro-N-(2-methylpropyl)-N-[(1-prop-2-enylbenzimidazol-2-yl)methyl]benzamide;4-chloro-N-(2-methylpropyl)-N-[(1-prop-2-enylbenzimidazol-2-yl)methyl]benzamide;N-[(6-chloro-1-prop-2-enylbenzimidazol-2-yl)methyl]-N-cyclopentyl-3-fluoro-4-methylbenzamide;2-fluoro-3-methyl-N-(2-methylpropyl)-N-[(1-prop-2-enylbenzimidazol-2-yl)methyl]benzamide;5-fluoro-2-methyl-N-(2-methylpropyl)-N-[(1-prop-2-enylbenzimidazol-2-yl)methyl]benzamide;3-fluoro-4-methyl-N-(2-methylpropyl)-N-[(1-propylbenzimidazol-2-yl)methyl]benzamide?
3-chloro-N-(2-methylpropyl)-N-[(1-prop-2-enylbenzimidazol-2-yl)methyl]benzamide;4-chloro-N-(2-methylpropyl)-N-[(1-prop-2-enylbenzimidazol-2-yl)methyl]benzamide;N-[(6-chloro-1-prop-2-enylbenzimidazol-2-yl)methyl]-N-cyclopentyl-3-fluoro-4-methylbenzamide;2-fluoro-3-methyl-N-(2-methylpropyl)-N-[(1-prop-2-enylbenzimidazol-2-yl)methyl]benzamide;5-fluoro-2-methyl-N-(2-methylpropyl)-N-[(1-prop-2-enylbenzimidazol-2-yl)methyl]benzamide;3-fluoro-4-methyl-N-(2-methylpropyl)-N-[(1-propylbenzimidazol-2-yl)methyl]benzamide has a molecular weight of 2330.20 g/mol, XLogP of 31.39, 41 rotatable bonds, 0 hydrogen bond donors, and 18 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-N-(2-methylpropyl)-N-[(1-prop-2-enylbenzimidazol-2-yl)methyl]benzamide;4-chloro-N-(2-methylpropyl)-N-[(1-prop-2-enylbenzimidazol-2-yl)methyl]benzamide;N-[(6-chloro-1-prop-2-enylbenzimidazol-2-yl)methyl]-N-cyclopentyl-3-fluoro-4-methylbenzamide;2-fluoro-3-methyl-N-(2-methylpropyl)-N-[(1-prop-2-enylbenzimidazol-2-yl)methyl]benzamide;5-fluoro-2-methyl-N-(2-methylpropyl)-N-[(1-prop-2-enylbenzimidazol-2-yl)methyl]benzamide;3-fluoro-4-methyl-N-(2-methylpropyl)-N-[(1-propylbenzimidazol-2-yl)methyl]benzamide is sourced from PubChem (CID 157484934), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).