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

C17H15Cl2N3O — CID 25066170

IUPACN-[2-(2,6-dichlorophenyl)-3H-benzimidazol-5-yl]butanamide
SMILESCCCC(=O)Nc1ccc2nc(-c3c(Cl)cccc3Cl)[nH]c2c1
InChIInChI=1S/C17H15Cl2N3O/c1-2-4-15(23)20-10-7-8-13-14(9-10)22-17(21-13)16-11(18)5-3-6-12(16)19/h3,5-9H,2,4H2,1H3,(H,20,23)(H,21,22)
InChIKeyZYYNHYNFBGFGRG-UHFFFAOYSA-N
MW348.23 g/mol
LogP5.28
Rot. Bonds4

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

N-[2-(2,6-dichlorophenyl)-3H-benzimidazol-5-yl]butanamide (PubChem CID 25066170) has the molecular formula C17H15Cl2N3O and a molecular weight of 348.23 g/mol. Its IUPAC name is N-[2-(2,6-dichlorophenyl)-3H-benzimidazol-5-yl]butanamide.

Molecular Properties

Compound NameN-[2-(2,6-dichlorophenyl)-3H-benzimidazol-5-yl]butanamide
PubChem CID25066170
Molecular FormulaC17H15Cl2N3O
Molecular Weight348.23 g/mol
Exact Mass347.06
IUPAC NameN-[2-(2,6-dichlorophenyl)-3H-benzimidazol-5-yl]butanamide
SMILESCCCC(=O)Nc1ccc2nc(-c3c(Cl)cccc3Cl)[nH]c2c1
InChIInChI=1S/C17H15Cl2N3O/c1-2-4-15(23)20-10-7-8-13-14(9-10)22-17(21-13)16-11(18)5-3-6-12(16)19/h3,5-9H,2,4H2,1H3,(H,20,23)(H,21,22)
InChIKeyZYYNHYNFBGFGRG-UHFFFAOYSA-N
XLogP5.28
TPSA57.78 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500348.23
LogP ≤ 55.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-[2-(2,6-dichlorophenyl)-3H-benzimidazol-5-yl]-3-methylbutanamide
CID 25066171
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
benzene;N-[2-[4-(butanoylamino)phenyl]-3H-benzimidazol-5-yl]-2,3-diethylpentanamide
CID 142813043
3-[[2-(2,6-dichlorophenyl)-3H-benzimidazole-5-carbonyl]amino]benzoic acid
CID 68935401
ethyl N-[2-(2,6-dimethylphenyl)-3H-benzimidazol-5-yl]carbamate
CID 25065962
3-chloro-N-(2-methyl-3H-benzimidazol-5-yl)propanamide
CID 43700582
N-(2-cyclopentyl-3H-benzimidazol-5-yl)butanamide
CID 110779431
3-chloro-N-[4-[6-[2-[4-(3-chloropropanoylamino)phenyl]-3H-benzimidazol-5-yl]-1H-benzimidazol-2-yl]phenyl]propanamide
CID 11628600
ethyl (E)-3-[4-[[2-(2,6-dichlorophenyl)-3H-benzimidazole-5-carbonyl]amino]phenyl]prop-2-enoate
CID 66965564

Frequently Asked Questions

What is the IUPAC name of N-[2-(2,6-dichlorophenyl)-3H-benzimidazol-5-yl]butanamide?
The IUPAC name of N-[2-(2,6-dichlorophenyl)-3H-benzimidazol-5-yl]butanamide (CID 25066170) is N-[2-(2,6-dichlorophenyl)-3H-benzimidazol-5-yl]butanamide.
What is the SMILES notation for N-[2-(2,6-dichlorophenyl)-3H-benzimidazol-5-yl]butanamide?
The canonical SMILES for N-[2-(2,6-dichlorophenyl)-3H-benzimidazol-5-yl]butanamide is CCCC(=O)Nc1ccc2nc(-c3c(Cl)cccc3Cl)[nH]c2c1.
What is the InChIKey of N-[2-(2,6-dichlorophenyl)-3H-benzimidazol-5-yl]butanamide?
The InChIKey is ZYYNHYNFBGFGRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15Cl2N3O/c1-2-4-15(23)20-10-7-8-13-14(9-10)22-17(21-13)16-11(18)5-3-6-12(16)19/h3,5-9H,2,4H2,1H3,(H,20,23)(H,21,22).
What are the key properties of N-[2-(2,6-dichlorophenyl)-3H-benzimidazol-5-yl]butanamide?
N-[2-(2,6-dichlorophenyl)-3H-benzimidazol-5-yl]butanamide has a molecular weight of 348.23 g/mol, XLogP of 5.28, 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]butanamide is sourced from PubChem (CID 25066170), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).