N-[3-[(6-chloro-1H-benzimidazol-2-yl)amino]phenyl]acetamide

C15H13ClN4O — CID 82562667

IUPACN-[3-[(6-chloro-1H-benzimidazol-2-yl)amino]phenyl]acetamide
SMILESCC(=O)Nc1cccc(Nc2nc3ccc(Cl)cc3[nH]2)c1
InChIInChI=1S/C15H13ClN4O/c1-9(21)17-11-3-2-4-12(8-11)18-15-19-13-6-5-10(16)7-14(13)20-15/h2-8H,1H3,(H,17,21)(H2,18,19,20)
InChIKeyLAAOCRYCYHRLRN-UHFFFAOYSA-N
MW300.75 g/mol
LogP3.92
Rot. Bonds3

About N-[3-[(6-chloro-1H-benzimidazol-2-yl)amino]phenyl]acetamide

N-[3-[(6-chloro-1H-benzimidazol-2-yl)amino]phenyl]acetamide (PubChem CID 82562667) has the molecular formula C15H13ClN4O and a molecular weight of 300.75 g/mol. Its IUPAC name is N-[3-[(6-chloro-1H-benzimidazol-2-yl)amino]phenyl]acetamide.

Molecular Properties

Compound NameN-[3-[(6-chloro-1H-benzimidazol-2-yl)amino]phenyl]acetamide
PubChem CID82562667
Molecular FormulaC15H13ClN4O
Molecular Weight300.75 g/mol
Exact Mass300.08
IUPAC NameN-[3-[(6-chloro-1H-benzimidazol-2-yl)amino]phenyl]acetamide
SMILESCC(=O)Nc1cccc(Nc2nc3ccc(Cl)cc3[nH]2)c1
InChIInChI=1S/C15H13ClN4O/c1-9(21)17-11-3-2-4-12(8-11)18-15-19-13-6-5-10(16)7-14(13)20-15/h2-8H,1H3,(H,17,21)(H2,18,19,20)
InChIKeyLAAOCRYCYHRLRN-UHFFFAOYSA-N
XLogP3.92
TPSA69.81 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.75
LogP ≤ 53.92
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

1-N,4-N-bis(6-chloro-1H-benzimidazol-2-yl)benzene-1,4-diamine
CID 14688884
6-chloro-N-(3,5-dichlorophenyl)-1H-benzimidazol-2-amine;hydrochloride
CID 24970552
N-(3-acetylphenyl)-2-[(6-chloro-1H-benzimidazol-2-yl)sulfanyl]acetamide
CID 2618184
6-chloro-N-(5-chloro-2-methylphenyl)-1H-benzimidazol-2-amine
CID 82562664
(2S)-N-(3-acetylphenyl)-2-[(6-chloro-1H-benzimidazol-2-yl)sulfanyl]propanamide
CID 2617970
N-(3-bromophenyl)-2-(2,6-dichloroanilino)-3H-benzimidazole-5-carboxamide
CID 45138811
N-[3-(1H-benzimidazol-2-ylamino)phenyl]-4-phenylbenzamide
CID 156631123
2-(3-methylsulfonylanilino)-3H-benzimidazole-5-carboxylic acid
CID 82563075
N'-(3-acetamidophenyl)-N-(3-chlorophenyl)oxamide
CID 108516501
6-methoxy-N-(3-methoxyphenyl)-1H-benzimidazol-2-amine
CID 82562561
N-[3-[(6-oxo-4-pyridin-4-yl-1H-pyrimidin-2-yl)amino]phenyl]acetamide
CID 135436593
N-(3-acetamidophenyl)-3-chlorobenzamide
CID 669190

Frequently Asked Questions

What is the IUPAC name of N-[3-[(6-chloro-1H-benzimidazol-2-yl)amino]phenyl]acetamide?
The IUPAC name of N-[3-[(6-chloro-1H-benzimidazol-2-yl)amino]phenyl]acetamide (CID 82562667) is N-[3-[(6-chloro-1H-benzimidazol-2-yl)amino]phenyl]acetamide.
What is the SMILES notation for N-[3-[(6-chloro-1H-benzimidazol-2-yl)amino]phenyl]acetamide?
The canonical SMILES for N-[3-[(6-chloro-1H-benzimidazol-2-yl)amino]phenyl]acetamide is CC(=O)Nc1cccc(Nc2nc3ccc(Cl)cc3[nH]2)c1.
What is the InChIKey of N-[3-[(6-chloro-1H-benzimidazol-2-yl)amino]phenyl]acetamide?
The InChIKey is LAAOCRYCYHRLRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13ClN4O/c1-9(21)17-11-3-2-4-12(8-11)18-15-19-13-6-5-10(16)7-14(13)20-15/h2-8H,1H3,(H,17,21)(H2,18,19,20).
What are the key properties of N-[3-[(6-chloro-1H-benzimidazol-2-yl)amino]phenyl]acetamide?
N-[3-[(6-chloro-1H-benzimidazol-2-yl)amino]phenyl]acetamide has a molecular weight of 300.75 g/mol, XLogP of 3.92, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[(6-chloro-1H-benzimidazol-2-yl)amino]phenyl]acetamide is sourced from PubChem (CID 82562667), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).