N-[2-(2,6-dichlorophenyl)-3H-benzimidazol-5-yl]-3-methylbutanamide

C18H17Cl2N3O — CID 25066171

IUPACN-[2-(2,6-dichlorophenyl)-3H-benzimidazol-5-yl]-3-methylbutanamide
SMILESCC(C)CC(=O)Nc1ccc2nc(-c3c(Cl)cccc3Cl)[nH]c2c1
InChIInChI=1S/C18H17Cl2N3O/c1-10(2)8-16(24)21-11-6-7-14-15(9-11)23-18(22-14)17-12(19)4-3-5-13(17)20/h3-7,9-10H,8H2,1-2H3,(H,21,24)(H,22,23)
InChIKeySNDPNPSGGLBSRS-UHFFFAOYSA-N
MW362.26 g/mol
LogP5.52
Rot. Bonds4

About N-[2-(2,6-dichlorophenyl)-3H-benzimidazol-5-yl]-3-methylbutanamide

N-[2-(2,6-dichlorophenyl)-3H-benzimidazol-5-yl]-3-methylbutanamide (PubChem CID 25066171) has the molecular formula C18H17Cl2N3O and a molecular weight of 362.26 g/mol. Its IUPAC name is N-[2-(2,6-dichlorophenyl)-3H-benzimidazol-5-yl]-3-methylbutanamide.

Molecular Properties

Compound NameN-[2-(2,6-dichlorophenyl)-3H-benzimidazol-5-yl]-3-methylbutanamide
PubChem CID25066171
Molecular FormulaC18H17Cl2N3O
Molecular Weight362.26 g/mol
Exact Mass361.07
IUPAC NameN-[2-(2,6-dichlorophenyl)-3H-benzimidazol-5-yl]-3-methylbutanamide
SMILESCC(C)CC(=O)Nc1ccc2nc(-c3c(Cl)cccc3Cl)[nH]c2c1
InChIInChI=1S/C18H17Cl2N3O/c1-10(2)8-16(24)21-11-6-7-14-15(9-11)23-18(22-14)17-12(19)4-3-5-13(17)20/h3-7,9-10H,8H2,1-2H3,(H,21,24)(H,22,23)
InChIKeySNDPNPSGGLBSRS-UHFFFAOYSA-N
XLogP5.52
TPSA57.78 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500362.26
LogP ≤ 55.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-[2-(2,6-dichlorophenyl)-3H-benzimidazol-5-yl]butanamide
CID 25066170
N-[2-(2,6-dichlorophenyl)-3H-benzimidazol-5-yl]-2-phenylacetamide
CID 25066173
1-[2-(2,6-dichlorophenyl)-3H-benzimidazol-5-yl]ethanone
CID 143659491
N-[2-(2,6-dichlorophenyl)-3H-benzimidazol-5-yl]quinoline-2-carboxamide
CID 58156302
2-(2,6-dichlorophenyl)-N-(4-methoxyphenyl)-3H-benzimidazole-5-carboxamide
CID 25066986
3-[[2-(2,6-dichlorophenyl)-3H-benzimidazole-5-carbonyl]amino]benzoic acid
CID 68935401
2-(2,6-dichlorophenyl)-N-[(1R)-1-phenylethyl]-3H-benzimidazole-5-carboxamide;2-(2,6-dichlorophenyl)-N-[(1S)-1-phenylethyl]-3H-benzimidazole-5-carboxamide
CID 160994973
ethyl N-[2-(2,6-dimethylphenyl)-3H-benzimidazol-5-yl]carbamate
CID 25065962
2-[2-(2,6-dichlorophenyl)-3H-benzimidazol-5-yl]butanamide;N-[2-(2,6-dichlorophenyl)-3H-benzimidazol-5-yl]-2-ethoxyacetamide;N-[2-(2,6-dichlorophenyl)-3H-benzimidazol-5-yl]-3-methylbenzamide;N-[2-(2,6-dichlorophenyl)-3H-benzimidazol-5-yl]-3-methylbutanamide;N-[2-(2,6-dichlorophenyl)-3H-benzimidazol-5-yl]-2-phenylacetamide;ethyl N-[2-(2,3-dichlorophenyl)-3H-benzimidazol-5-yl]carbamate
CID 173113613
2-(2,6-dichlorophenyl)-N-[4-fluoro-3-(trifluoromethyl)phenyl]-3H-benzimidazole-5-carboxamide
CID 87217495
2-(2,6-dichlorophenyl)-N-[3-(2H-tetrazol-5-yl)phenyl]-3H-benzimidazole-5-carboxamide
CID 25064923
2-(2,6-dichlorophenyl)-6-prop-1-en-2-yl-1H-benzimidazole
CID 143659620

Frequently Asked Questions

What is the IUPAC name of N-[2-(2,6-dichlorophenyl)-3H-benzimidazol-5-yl]-3-methylbutanamide?
The IUPAC name of N-[2-(2,6-dichlorophenyl)-3H-benzimidazol-5-yl]-3-methylbutanamide (CID 25066171) is N-[2-(2,6-dichlorophenyl)-3H-benzimidazol-5-yl]-3-methylbutanamide.
What is the SMILES notation for N-[2-(2,6-dichlorophenyl)-3H-benzimidazol-5-yl]-3-methylbutanamide?
The canonical SMILES for N-[2-(2,6-dichlorophenyl)-3H-benzimidazol-5-yl]-3-methylbutanamide is CC(C)CC(=O)Nc1ccc2nc(-c3c(Cl)cccc3Cl)[nH]c2c1.
What is the InChIKey of N-[2-(2,6-dichlorophenyl)-3H-benzimidazol-5-yl]-3-methylbutanamide?
The InChIKey is SNDPNPSGGLBSRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17Cl2N3O/c1-10(2)8-16(24)21-11-6-7-14-15(9-11)23-18(22-14)17-12(19)4-3-5-13(17)20/h3-7,9-10H,8H2,1-2H3,(H,21,24)(H,22,23).
What are the key properties of N-[2-(2,6-dichlorophenyl)-3H-benzimidazol-5-yl]-3-methylbutanamide?
N-[2-(2,6-dichlorophenyl)-3H-benzimidazol-5-yl]-3-methylbutanamide has a molecular weight of 362.26 g/mol, XLogP of 5.52, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2,6-dichlorophenyl)-3H-benzimidazol-5-yl]-3-methylbutanamide is sourced from PubChem (CID 25066171), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).