2-cyano-N-[2-(4-hydroxyphenyl)-3H-benzimidazol-5-yl]acetamide

C16H12N4O2 — CID 168522350

IUPAC2-cyano-N-[2-(4-hydroxyphenyl)-3H-benzimidazol-5-yl]acetamide
SMILESN#CCC(=O)Nc1ccc2nc(-c3ccc(O)cc3)[nH]c2c1
InChIInChI=1S/C16H12N4O2/c17-8-7-15(22)18-11-3-6-13-14(9-11)20-16(19-13)10-1-4-12(21)5-2-10/h1-6,9,21H,7H2,(H,18,22)(H,19,20)
InChIKeyHDQCZPDKZGRWTA-UHFFFAOYSA-N
MW292.30 g/mol
LogP2.79
Rot. Bonds3

About 2-cyano-N-[2-(4-hydroxyphenyl)-3H-benzimidazol-5-yl]acetamide

2-cyano-N-[2-(4-hydroxyphenyl)-3H-benzimidazol-5-yl]acetamide (PubChem CID 168522350) has the molecular formula C16H12N4O2 and a molecular weight of 292.30 g/mol. Its IUPAC name is 2-cyano-N-[2-(4-hydroxyphenyl)-3H-benzimidazol-5-yl]acetamide.

Molecular Properties

Compound Name2-cyano-N-[2-(4-hydroxyphenyl)-3H-benzimidazol-5-yl]acetamide
PubChem CID168522350
Molecular FormulaC16H12N4O2
Molecular Weight292.30 g/mol
Exact Mass292.10
IUPAC Name2-cyano-N-[2-(4-hydroxyphenyl)-3H-benzimidazol-5-yl]acetamide
SMILESN#CCC(=O)Nc1ccc2nc(-c3ccc(O)cc3)[nH]c2c1
InChIInChI=1S/C16H12N4O2/c17-8-7-15(22)18-11-3-6-13-14(9-11)20-16(19-13)10-1-4-12(21)5-2-10/h1-6,9,21H,7H2,(H,18,22)(H,19,20)
InChIKeyHDQCZPDKZGRWTA-UHFFFAOYSA-N
XLogP2.79
TPSA101.80 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.30
LogP ≤ 52.79
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

2-cyano-N-(2-thiophen-2-yl-3H-benzimidazol-5-yl)acetamide
CID 168523092
2-phenyl-N-[2-[4-[6-[(2-phenylacetyl)amino]-1H-benzimidazol-2-yl]phenyl]-3H-benzimidazol-5-yl]acetamide
CID 3106744
2-cyano-N-[2-(1-hydroxyethyl)-3H-benzimidazol-5-yl]acetamide
CID 168520800
N-[3-(1H-benzimidazol-2-yl)-4-chlorophenyl]-2-cyanoacetamide
CID 168521087
4-[(2-phenylacetyl)amino]-N-[4-[6-[[4-[(2-phenylacetyl)amino]benzoyl]amino]-1H-benzimidazol-2-yl]phenyl]benzamide
CID 2832124
2-(4-hydroxyphenyl)-3H-benzimidazole-5-carboxylic acid
CID 162148176
2-hydroxy-1-[2-(4-hydroxyphenyl)-3H-benzimidazol-5-yl]ethanone
CID 157105688
N-[4-[6-(1,2,2-tricyanoethenylamino)-1H-benzimidazol-2-yl]phenyl]benzamide
CID 168608096
3-chloro-N-[4-[6-[2-[4-(3-chloropropanoylamino)phenyl]-3H-benzimidazol-5-yl]-1H-benzimidazol-2-yl]phenyl]propanamide
CID 11628600
N-(2H-benzotriazol-5-yl)-2-cyanoacetamide
CID 168520627
3,4-dichloro-N-[4-[6-[(3,4-dichlorobenzoyl)amino]-1H-benzimidazol-2-yl]phenyl]benzamide
CID 10166808
2-(2H-triazol-4-ylsulfanyl)-N-[4-[6-[[2-(2H-triazol-4-ylsulfanyl)acetyl]amino]-1H-benzimidazol-2-yl]phenyl]acetamide
CID 17325104

Frequently Asked Questions

What is the IUPAC name of 2-cyano-N-[2-(4-hydroxyphenyl)-3H-benzimidazol-5-yl]acetamide?
The IUPAC name of 2-cyano-N-[2-(4-hydroxyphenyl)-3H-benzimidazol-5-yl]acetamide (CID 168522350) is 2-cyano-N-[2-(4-hydroxyphenyl)-3H-benzimidazol-5-yl]acetamide.
What is the SMILES notation for 2-cyano-N-[2-(4-hydroxyphenyl)-3H-benzimidazol-5-yl]acetamide?
The canonical SMILES for 2-cyano-N-[2-(4-hydroxyphenyl)-3H-benzimidazol-5-yl]acetamide is N#CCC(=O)Nc1ccc2nc(-c3ccc(O)cc3)[nH]c2c1.
What is the InChIKey of 2-cyano-N-[2-(4-hydroxyphenyl)-3H-benzimidazol-5-yl]acetamide?
The InChIKey is HDQCZPDKZGRWTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12N4O2/c17-8-7-15(22)18-11-3-6-13-14(9-11)20-16(19-13)10-1-4-12(21)5-2-10/h1-6,9,21H,7H2,(H,18,22)(H,19,20).
What are the key properties of 2-cyano-N-[2-(4-hydroxyphenyl)-3H-benzimidazol-5-yl]acetamide?
2-cyano-N-[2-(4-hydroxyphenyl)-3H-benzimidazol-5-yl]acetamide has a molecular weight of 292.30 g/mol, XLogP of 2.79, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyano-N-[2-(4-hydroxyphenyl)-3H-benzimidazol-5-yl]acetamide is sourced from PubChem (CID 168522350), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).