3-[(6-chloro-1H-benzimidazol-2-yl)methyl-methylamino]-N-(2,5-difluorophenyl)propanamide

C18H17ClF2N4O — CID 91829665

IUPAC3-[(6-chloro-1H-benzimidazol-2-yl)methyl-methylamino]-N-(2,5-difluorophenyl)propanamide
SMILESCN(CCC(=O)Nc1cc(F)ccc1F)Cc1nc2ccc(Cl)cc2[nH]1
InChIInChI=1S/C18H17ClF2N4O/c1-25(10-17-22-14-5-2-11(19)8-16(14)23-17)7-6-18(26)24-15-9-12(20)3-4-13(15)21/h2-5,8-9H,6-7,10H2,1H3,(H,22,23)(H,24,26)
InChIKeyFXXMOTHLNGUDEB-UHFFFAOYSA-N
MW378.81 g/mol
LogP3.96
Rot. Bonds6

About 3-[(6-chloro-1H-benzimidazol-2-yl)methyl-methylamino]-N-(2,5-difluorophenyl)propanamide

3-[(6-chloro-1H-benzimidazol-2-yl)methyl-methylamino]-N-(2,5-difluorophenyl)propanamide (PubChem CID 91829665) has the molecular formula C18H17ClF2N4O and a molecular weight of 378.81 g/mol. Its IUPAC name is 3-[(6-chloro-1H-benzimidazol-2-yl)methyl-methylamino]-N-(2,5-difluorophenyl)propanamide.

Molecular Properties

Compound Name3-[(6-chloro-1H-benzimidazol-2-yl)methyl-methylamino]-N-(2,5-difluorophenyl)propanamide
PubChem CID91829665
Molecular FormulaC18H17ClF2N4O
Molecular Weight378.81 g/mol
Exact Mass378.11
IUPAC Name3-[(6-chloro-1H-benzimidazol-2-yl)methyl-methylamino]-N-(2,5-difluorophenyl)propanamide
SMILESCN(CCC(=O)Nc1cc(F)ccc1F)Cc1nc2ccc(Cl)cc2[nH]1
InChIInChI=1S/C18H17ClF2N4O/c1-25(10-17-22-14-5-2-11(19)8-16(14)23-17)7-6-18(26)24-15-9-12(20)3-4-13(15)21/h2-5,8-9H,6-7,10H2,1H3,(H,22,23)(H,24,26)
InChIKeyFXXMOTHLNGUDEB-UHFFFAOYSA-N
XLogP3.96
TPSA61.02 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.81
LogP ≤ 53.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(6-chloro-1H-benzimidazol-2-yl)methyl]-N-methylcarbamate
CID 57361833
N-[(6-chloro-1H-benzimidazol-2-yl)methyl]-N-methylbutan-1-amine
CID 82335889
N-[(6-fluoro-1H-benzimidazol-2-yl)methyl]-N-methyl-2-methylsulfonylethanamine
CID 134698957
N-ethyl-3-[methyl-[(6-methyl-1H-benzimidazol-2-yl)methyl]amino]propanamide
CID 91831683
5-chloro-N-(2,5-difluorophenyl)pentanamide
CID 28971528
1-(azepan-1-yl)-2-[(6-chloro-1H-benzimidazol-2-yl)methyl-methylamino]ethanone
CID 134696462
N-[3-(6-chloro-1H-benzimidazol-2-yl)propyl]-2-(dimethylamino)-2-(4-fluorophenyl)acetamide
CID 91775402
N-[(6-chloro-1H-benzimidazol-2-yl)methyl]-N-methylethanesulfonamide
CID 131946800
2-(6-chloro-1H-benzimidazol-2-yl)-N,N-dimethylethanamine
CID 64725128
3-(1H-benzimidazol-2-yl)-N-(2,4-difluorophenyl)propanamide
CID 27449333
N-(2,5-difluorophenyl)-3-hydroxypropanamide
CID 68503422
N-butyl-N-[(6-fluoro-1H-benzimidazol-2-yl)methyl]butan-1-amine
CID 82335865

Frequently Asked Questions

What is the IUPAC name of 3-[(6-chloro-1H-benzimidazol-2-yl)methyl-methylamino]-N-(2,5-difluorophenyl)propanamide?
The IUPAC name of 3-[(6-chloro-1H-benzimidazol-2-yl)methyl-methylamino]-N-(2,5-difluorophenyl)propanamide (CID 91829665) is 3-[(6-chloro-1H-benzimidazol-2-yl)methyl-methylamino]-N-(2,5-difluorophenyl)propanamide.
What is the SMILES notation for 3-[(6-chloro-1H-benzimidazol-2-yl)methyl-methylamino]-N-(2,5-difluorophenyl)propanamide?
The canonical SMILES for 3-[(6-chloro-1H-benzimidazol-2-yl)methyl-methylamino]-N-(2,5-difluorophenyl)propanamide is CN(CCC(=O)Nc1cc(F)ccc1F)Cc1nc2ccc(Cl)cc2[nH]1.
What is the InChIKey of 3-[(6-chloro-1H-benzimidazol-2-yl)methyl-methylamino]-N-(2,5-difluorophenyl)propanamide?
The InChIKey is FXXMOTHLNGUDEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17ClF2N4O/c1-25(10-17-22-14-5-2-11(19)8-16(14)23-17)7-6-18(26)24-15-9-12(20)3-4-13(15)21/h2-5,8-9H,6-7,10H2,1H3,(H,22,23)(H,24,26).
What are the key properties of 3-[(6-chloro-1H-benzimidazol-2-yl)methyl-methylamino]-N-(2,5-difluorophenyl)propanamide?
3-[(6-chloro-1H-benzimidazol-2-yl)methyl-methylamino]-N-(2,5-difluorophenyl)propanamide has a molecular weight of 378.81 g/mol, XLogP of 3.96, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(6-chloro-1H-benzimidazol-2-yl)methyl-methylamino]-N-(2,5-difluorophenyl)propanamide is sourced from PubChem (CID 91829665), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).