N-[3-(1H-benzimidazol-2-yl)-4-chlorophenyl]-2-cyanoacetamide

C16H11ClN4O — CID 168521087

IUPACN-[3-(1H-benzimidazol-2-yl)-4-chlorophenyl]-2-cyanoacetamide
SMILESN#CCC(=O)Nc1ccc(Cl)c(-c2nc3ccccc3[nH]2)c1
InChIInChI=1S/C16H11ClN4O/c17-12-6-5-10(19-15(22)7-8-18)9-11(12)16-20-13-3-1-2-4-14(13)21-16/h1-6,9H,7H2,(H,19,22)(H,20,21)
InChIKeySNWNFXZHPLVYQN-UHFFFAOYSA-N
MW310.74 g/mol
LogP3.74
Rot. Bonds3

About N-[3-(1H-benzimidazol-2-yl)-4-chlorophenyl]-2-cyanoacetamide

N-[3-(1H-benzimidazol-2-yl)-4-chlorophenyl]-2-cyanoacetamide (PubChem CID 168521087) has the molecular formula C16H11ClN4O and a molecular weight of 310.74 g/mol. Its IUPAC name is N-[3-(1H-benzimidazol-2-yl)-4-chlorophenyl]-2-cyanoacetamide.

Molecular Properties

Compound NameN-[3-(1H-benzimidazol-2-yl)-4-chlorophenyl]-2-cyanoacetamide
PubChem CID168521087
Molecular FormulaC16H11ClN4O
Molecular Weight310.74 g/mol
Exact Mass310.06
IUPAC NameN-[3-(1H-benzimidazol-2-yl)-4-chlorophenyl]-2-cyanoacetamide
SMILESN#CCC(=O)Nc1ccc(Cl)c(-c2nc3ccccc3[nH]2)c1
InChIInChI=1S/C16H11ClN4O/c17-12-6-5-10(19-15(22)7-8-18)9-11(12)16-20-13-3-1-2-4-14(13)21-16/h1-6,9H,7H2,(H,19,22)(H,20,21)
InChIKeySNWNFXZHPLVYQN-UHFFFAOYSA-N
XLogP3.74
TPSA81.57 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.74
LogP ≤ 53.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[3-(1H-benzimidazol-2-yl)-4-chlorophenyl]pyridine-4-carboxamide
CID 5346054
N-[3-(1H-benzimidazol-2-yl)-4-chlorophenyl]-2-chloropyridine-4-carboxamide
CID 89391363
N-[3-(1H-benzimidazol-2-yl)-4-chlorophenyl]-3,5-bis(trifluoromethyl)benzamide
CID 89391347
N-[3-(1H-benzimidazol-2-yl)-4-chlorophenyl]-1,3-benzodioxole-5-carboxamide
CID 2208803
2-cyano-N-[2-(4-hydroxyphenyl)-3H-benzimidazol-5-yl]acetamide
CID 168522350
N-[3-(1H-benzimidazol-2-yl)-4-chlorophenyl]-3-chloro-4-ethoxybenzamide
CID 1352608
N-[3-(1H-benzimidazol-2-yl)-4-chlorophenyl]-5-iodofuran-2-carboxamide
CID 1361388
N-[3-(1H-benzimidazol-2-yl)-4-chlorophenyl]-4-phenylcyclohexane-1-carboxamide
CID 90031123
N-[3-(1H-benzimidazol-2-yl)-4-chlorophenyl]-3,4-diethoxy-5-methylbenzamide
CID 59242140
2-cyano-N-(2-thiophen-2-yl-3H-benzimidazol-5-yl)acetamide
CID 168523092
N-[3-(1H-benzimidazol-2-yl)-4-chlorophenyl]-4-methoxy-2-methylbenzamide
CID 70967059
N-[3-(1H-benzimidazol-2-yl)-4-chlorophenyl]-4-(thiophen-2-ylsulfonylamino)benzamide
CID 110162739

Frequently Asked Questions

What is the IUPAC name of N-[3-(1H-benzimidazol-2-yl)-4-chlorophenyl]-2-cyanoacetamide?
The IUPAC name of N-[3-(1H-benzimidazol-2-yl)-4-chlorophenyl]-2-cyanoacetamide (CID 168521087) is N-[3-(1H-benzimidazol-2-yl)-4-chlorophenyl]-2-cyanoacetamide.
What is the SMILES notation for N-[3-(1H-benzimidazol-2-yl)-4-chlorophenyl]-2-cyanoacetamide?
The canonical SMILES for N-[3-(1H-benzimidazol-2-yl)-4-chlorophenyl]-2-cyanoacetamide is N#CCC(=O)Nc1ccc(Cl)c(-c2nc3ccccc3[nH]2)c1.
What is the InChIKey of N-[3-(1H-benzimidazol-2-yl)-4-chlorophenyl]-2-cyanoacetamide?
The InChIKey is SNWNFXZHPLVYQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H11ClN4O/c17-12-6-5-10(19-15(22)7-8-18)9-11(12)16-20-13-3-1-2-4-14(13)21-16/h1-6,9H,7H2,(H,19,22)(H,20,21).
What are the key properties of N-[3-(1H-benzimidazol-2-yl)-4-chlorophenyl]-2-cyanoacetamide?
N-[3-(1H-benzimidazol-2-yl)-4-chlorophenyl]-2-cyanoacetamide has a molecular weight of 310.74 g/mol, XLogP of 3.74, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(1H-benzimidazol-2-yl)-4-chlorophenyl]-2-cyanoacetamide is sourced from PubChem (CID 168521087), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).