2-[(4-chlorophenyl)-hydroxy-phenylmethyl]-3-methylbenzimidazole-5-carbonitrile

C22H16ClN3O — CID 118515905

IUPAC2-[(4-chlorophenyl)-hydroxy-phenylmethyl]-3-methylbenzimidazole-5-carbonitrile
SMILESCn1c(C(O)(c2ccccc2)c2ccc(Cl)cc2)nc2ccc(C#N)cc21
InChIInChI=1S/C22H16ClN3O/c1-26-20-13-15(14-24)7-12-19(20)25-21(26)22(27,16-5-3-2-4-6-16)17-8-10-18(23)11-9-17/h2-13,27H,1H3
InChIKeyVHFCADKLFGVFNN-UHFFFAOYSA-N
MW373.84 g/mol
LogP4.38
Rot. Bonds3

About 2-[(4-chlorophenyl)-hydroxy-phenylmethyl]-3-methylbenzimidazole-5-carbonitrile

2-[(4-chlorophenyl)-hydroxy-phenylmethyl]-3-methylbenzimidazole-5-carbonitrile (PubChem CID 118515905) has the molecular formula C22H16ClN3O and a molecular weight of 373.84 g/mol. Its IUPAC name is 2-[(4-chlorophenyl)-hydroxy-phenylmethyl]-3-methylbenzimidazole-5-carbonitrile.

Molecular Properties

Compound Name2-[(4-chlorophenyl)-hydroxy-phenylmethyl]-3-methylbenzimidazole-5-carbonitrile
PubChem CID118515905
Molecular FormulaC22H16ClN3O
Molecular Weight373.84 g/mol
Exact Mass373.10
IUPAC Name2-[(4-chlorophenyl)-hydroxy-phenylmethyl]-3-methylbenzimidazole-5-carbonitrile
SMILESCn1c(C(O)(c2ccccc2)c2ccc(Cl)cc2)nc2ccc(C#N)cc21
InChIInChI=1S/C22H16ClN3O/c1-26-20-13-15(14-24)7-12-19(20)25-21(26)22(27,16-5-3-2-4-6-16)17-8-10-18(23)11-9-17/h2-13,27H,1H3
InChIKeyVHFCADKLFGVFNN-UHFFFAOYSA-N
XLogP4.38
TPSA61.84 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.84
LogP ≤ 54.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3'-(5-(1-Hydroxy-1-methylethyl)benzoimidazol-1-yl)biphenyl-2-carbonitrile
CID 16747643
2-[2-[2-[(E)-2-(4-chlorophenyl)ethenyl]-3H-benzimidazol-5-yl]phenyl]propan-2-ol
CID 24759485
2-{4-[1-(4-Chloro-benzyl)-1H-benzoimidazol-2-ylsulfanylmethyl]-phenyl}-propan-2-ol
CID 44338286
2-Amino-3-[2-(2,3-dichlorophenyl)-2-hydroxyethyl]benzimidazole-5-carbonitrile
CID 90644763
1-[3-Ethyl-2-[hydroxy(diphenyl)methyl]benzimidazol-5-yl]-2,2,2-trifluoroethanol
CID 118515846
1-[3-Ethyl-2-[hydroxy(diphenyl)methyl]benzimidazol-5-yl]ethane-1,2-diol
CID 118515940
2-[3-Ethyl-4-fluoro-2-[hydroxy(diphenyl)methyl]benzimidazol-5-yl]acetonitrile
CID 118515982
3-Ethyl-2-[hydroxy(diphenyl)methyl]benzimidazole-5-carbonitrile
CID 118516013
N-[[3-ethyl-2-[hydroxy(diphenyl)methyl]benzimidazol-5-yl]methyl]acetamide
CID 118519225
2-[3-Ethyl-2-[hydroxy(diphenyl)methyl]benzimidazol-5-yl]ethanol
CID 118519226
(6-Cyclopropyl-1-ethylbenzimidazol-2-yl)-diphenylmethanol
CID 118519262
2-[[3-Ethyl-2-[hydroxy(diphenyl)methyl]benzimidazol-5-yl]methyl]propane-1,3-diol
CID 118519289

Frequently Asked Questions

What is the IUPAC name of 2-[(4-chlorophenyl)-hydroxy-phenylmethyl]-3-methylbenzimidazole-5-carbonitrile?
The IUPAC name of 2-[(4-chlorophenyl)-hydroxy-phenylmethyl]-3-methylbenzimidazole-5-carbonitrile (CID 118515905) is 2-[(4-chlorophenyl)-hydroxy-phenylmethyl]-3-methylbenzimidazole-5-carbonitrile.
What is the SMILES notation for 2-[(4-chlorophenyl)-hydroxy-phenylmethyl]-3-methylbenzimidazole-5-carbonitrile?
The canonical SMILES for 2-[(4-chlorophenyl)-hydroxy-phenylmethyl]-3-methylbenzimidazole-5-carbonitrile is Cn1c(C(O)(c2ccccc2)c2ccc(Cl)cc2)nc2ccc(C#N)cc21.
What is the InChIKey of 2-[(4-chlorophenyl)-hydroxy-phenylmethyl]-3-methylbenzimidazole-5-carbonitrile?
The InChIKey is VHFCADKLFGVFNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H16ClN3O/c1-26-20-13-15(14-24)7-12-19(20)25-21(26)22(27,16-5-3-2-4-6-16)17-8-10-18(23)11-9-17/h2-13,27H,1H3.
What are the key properties of 2-[(4-chlorophenyl)-hydroxy-phenylmethyl]-3-methylbenzimidazole-5-carbonitrile?
2-[(4-chlorophenyl)-hydroxy-phenylmethyl]-3-methylbenzimidazole-5-carbonitrile has a molecular weight of 373.84 g/mol, XLogP of 4.38, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-chlorophenyl)-hydroxy-phenylmethyl]-3-methylbenzimidazole-5-carbonitrile is sourced from PubChem (CID 118515905), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).