3-chloro-N-[(4-fluoro-1-propylbenzimidazol-2-yl)methyl]-4-methyl-N-(3-methylbutyl)benzamide

C24H29ClFN3O — CID 18732933

IUPAC3-chloro-N-[(4-fluoro-1-propylbenzimidazol-2-yl)methyl]-4-methyl-N-(3-methylbutyl)benzamide
SMILESCCCn1c(CN(CCC(C)C)C(=O)c2ccc(C)c(Cl)c2)nc2c(F)cccc21
InChIInChI=1S/C24H29ClFN3O/c1-5-12-29-21-8-6-7-20(26)23(21)27-22(29)15-28(13-11-16(2)3)24(30)18-10-9-17(4)19(25)14-18/h6-10,14,16H,5,11-13,15H2,1-4H3
InChIKeyQZJHSRNYJYTEBK-UHFFFAOYSA-N
MW429.97 g/mol
LogP6.24
Rot. Bonds8

About 3-chloro-N-[(4-fluoro-1-propylbenzimidazol-2-yl)methyl]-4-methyl-N-(3-methylbutyl)benzamide

3-chloro-N-[(4-fluoro-1-propylbenzimidazol-2-yl)methyl]-4-methyl-N-(3-methylbutyl)benzamide (PubChem CID 18732933) has the molecular formula C24H29ClFN3O and a molecular weight of 429.97 g/mol. Its IUPAC name is 3-chloro-N-[(4-fluoro-1-propylbenzimidazol-2-yl)methyl]-4-methyl-N-(3-methylbutyl)benzamide.

Molecular Properties

Compound Name3-chloro-N-[(4-fluoro-1-propylbenzimidazol-2-yl)methyl]-4-methyl-N-(3-methylbutyl)benzamide
PubChem CID18732933
Molecular FormulaC24H29ClFN3O
Molecular Weight429.97 g/mol
Exact Mass429.20
IUPAC Name3-chloro-N-[(4-fluoro-1-propylbenzimidazol-2-yl)methyl]-4-methyl-N-(3-methylbutyl)benzamide
SMILESCCCn1c(CN(CCC(C)C)C(=O)c2ccc(C)c(Cl)c2)nc2c(F)cccc21
InChIInChI=1S/C24H29ClFN3O/c1-5-12-29-21-8-6-7-20(26)23(21)27-22(29)15-28(13-11-16(2)3)24(30)18-10-9-17(4)19(25)14-18/h6-10,14,16H,5,11-13,15H2,1-4H3
InChIKeyQZJHSRNYJYTEBK-UHFFFAOYSA-N
XLogP6.24
TPSA38.13 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500429.97
LogP ≤ 56.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

3,4-difluoro-N-[(4-fluoro-1-propylbenzimidazol-2-yl)methyl]-N-(2-methylpropyl)benzamide
CID 18732740
N-[(4-fluoro-1-propylbenzimidazol-2-yl)methyl]-N-(2-methylpropyl)-1,3-benzodioxole-5-carboxamide
CID 18733560
N-[(1-butylbenzimidazol-2-yl)methyl]-3,4-dimethyl-N-(3-methylbutyl)benzamide
CID 18733407
N-[(6-chloro-1-propylbenzimidazol-2-yl)methyl]-2-fluoro-N-(3-methylbutyl)benzamide
CID 18733917
2,5-dichloro-N-[(4-fluoro-1-propylbenzimidazol-2-yl)methyl]-N-methylbenzamide
CID 18732505
3-fluoro-N-[(5-fluoro-1-propylbenzimidazol-2-yl)methyl]-4-methyl-N-(2-methylpropyl)benzamide
CID 18733036
3-fluoro-N-[(6-fluoro-1-propylbenzimidazol-2-yl)methyl]-N-(3-methylbutyl)benzamide;3-fluoro-N-[(6-fluoro-1-propylbenzimidazol-2-yl)methyl]-N-(2-methylpropyl)benzamide;4-fluoro-N-[(6-fluoro-1-propylbenzimidazol-2-yl)methyl]-N-(2-methylpropyl)benzamide;3-fluoro-N-[(6-fluoro-1-propylbenzimidazol-2-yl)methyl]-N-pentylbenzamide;4-fluoro-N-[(6-fluoro-1-propylbenzimidazol-2-yl)methyl]-N-pentylbenzamide;4-fluoro-N-[(6-fluoro-1-propylbenzimidazol-2-yl)methyl]-N-propylbenzamide
CID 159808543
3-bromo-4-fluoro-N-(3-methylbutyl)-N-[(3-propylimidazo[4,5-b]pyridin-2-yl)methyl]benzamide
CID 18732767
3-fluoro-N-[[5-[(3-methylbutylamino)methyl]-1-propylbenzimidazol-2-yl]methyl]-N-propylbenzamide
CID 18733047
3-fluoro-2-methyl-N-(3-methylbutyl)-N-[(3-propylimidazo[4,5-b]pyridin-2-yl)methyl]benzamide
CID 18733085
N-benzyl-3,4-difluoro-N-[(1-propylbenzimidazol-2-yl)methyl]benzamide
CID 18734329
N-[(3-cyclopentylimidazo[4,5-b]pyridin-2-yl)methyl]-2,3-difluoro-N-(3-methylbutyl)benzamide;N-[(3-cyclopentylimidazo[4,5-b]pyridin-2-yl)methyl]-5-fluoro-2-methyl-N-pentylbenzamide;3,4-dichloro-N-(3-methylbutyl)-N-[(3-propylimidazo[4,5-b]pyridin-2-yl)methyl]benzamide;5-methyl-N-(3-methylbutyl)-N-[(3-propylimidazo[4,5-b]pyridin-2-yl)methyl]thiophene-2-carboxamide
CID 158545704

Frequently Asked Questions

What is the IUPAC name of 3-chloro-N-[(4-fluoro-1-propylbenzimidazol-2-yl)methyl]-4-methyl-N-(3-methylbutyl)benzamide?
The IUPAC name of 3-chloro-N-[(4-fluoro-1-propylbenzimidazol-2-yl)methyl]-4-methyl-N-(3-methylbutyl)benzamide (CID 18732933) is 3-chloro-N-[(4-fluoro-1-propylbenzimidazol-2-yl)methyl]-4-methyl-N-(3-methylbutyl)benzamide.
What is the SMILES notation for 3-chloro-N-[(4-fluoro-1-propylbenzimidazol-2-yl)methyl]-4-methyl-N-(3-methylbutyl)benzamide?
The canonical SMILES for 3-chloro-N-[(4-fluoro-1-propylbenzimidazol-2-yl)methyl]-4-methyl-N-(3-methylbutyl)benzamide is CCCn1c(CN(CCC(C)C)C(=O)c2ccc(C)c(Cl)c2)nc2c(F)cccc21.
What is the InChIKey of 3-chloro-N-[(4-fluoro-1-propylbenzimidazol-2-yl)methyl]-4-methyl-N-(3-methylbutyl)benzamide?
The InChIKey is QZJHSRNYJYTEBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H29ClFN3O/c1-5-12-29-21-8-6-7-20(26)23(21)27-22(29)15-28(13-11-16(2)3)24(30)18-10-9-17(4)19(25)14-18/h6-10,14,16H,5,11-13,15H2,1-4H3.
What are the key properties of 3-chloro-N-[(4-fluoro-1-propylbenzimidazol-2-yl)methyl]-4-methyl-N-(3-methylbutyl)benzamide?
3-chloro-N-[(4-fluoro-1-propylbenzimidazol-2-yl)methyl]-4-methyl-N-(3-methylbutyl)benzamide has a molecular weight of 429.97 g/mol, XLogP of 6.24, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-N-[(4-fluoro-1-propylbenzimidazol-2-yl)methyl]-4-methyl-N-(3-methylbutyl)benzamide is sourced from PubChem (CID 18732933), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).