(2-benzylbenzimidazol-1-yl)-(4-hydroxyphenyl)methanone

C21H16N2O2 — CID 23766408

IUPAC(2-benzylbenzimidazol-1-yl)-(4-hydroxyphenyl)methanone
SMILESO=C(c1ccc(O)cc1)n1c(Cc2ccccc2)nc2ccccc21
InChIInChI=1S/C21H16N2O2/c24-17-12-10-16(11-13-17)21(25)23-19-9-5-4-8-18(19)22-20(23)14-15-6-2-1-3-7-15/h1-13,24H,14H2
InChIKeyBWGMASCGRXFUCS-UHFFFAOYSA-N
MW328.37 g/mol
LogP4.02
Rot. Bonds3

About (2-benzylbenzimidazol-1-yl)-(4-hydroxyphenyl)methanone

(2-benzylbenzimidazol-1-yl)-(4-hydroxyphenyl)methanone (PubChem CID 23766408) has the molecular formula C21H16N2O2 and a molecular weight of 328.37 g/mol. Its IUPAC name is (2-benzylbenzimidazol-1-yl)-(4-hydroxyphenyl)methanone.

Molecular Properties

Compound Name(2-benzylbenzimidazol-1-yl)-(4-hydroxyphenyl)methanone
PubChem CID23766408
Molecular FormulaC21H16N2O2
Molecular Weight328.37 g/mol
Exact Mass328.12
IUPAC Name(2-benzylbenzimidazol-1-yl)-(4-hydroxyphenyl)methanone
SMILESO=C(c1ccc(O)cc1)n1c(Cc2ccccc2)nc2ccccc21
InChIInChI=1S/C21H16N2O2/c24-17-12-10-16(11-13-17)21(25)23-19-9-5-4-8-18(19)22-20(23)14-15-6-2-1-3-7-15/h1-13,24H,14H2
InChIKeyBWGMASCGRXFUCS-UHFFFAOYSA-N
XLogP4.02
TPSA55.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.37
LogP ≤ 54.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(2-benzylbenzimidazol-1-yl)-(3-methylphenyl)methanone
CID 5153789
(2-benzylbenzimidazol-1-yl)-(2-bromophenyl)methanone
CID 5209385
(2-ethylbenzimidazol-1-yl)-(4-methylphenyl)methanone
CID 177379362
5-(2-benzylbenzimidazol-1-yl)-5-oxopentanoate
CID 6955238
[1-(4-chlorobenzoyl)benzimidazol-2-yl]methyl 4-chlorobenzoate
CID 21204758
3-(2-benzylbenzimidazol-1-yl)-2-oxopropanoic acid
CID 22464938
4-[(1-ethylbenzimidazol-2-yl)methyl]phenol
CID 43142753
[2-(phenoxymethyl)benzimidazol-1-yl]-pyridin-3-ylmethanone
CID 19256672
3-(2-benzylbenzimidazol-1-yl)butan-2-one
CID 16995648
2-[2-[(2-benzylbenzimidazol-1-yl)methyl]benzimidazol-1-yl]acetamide
CID 46784670
2-(2-benzylbenzimidazol-1-yl)-1-pyrrolidin-1-ylethanone
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[2-(azidomethyl)benzimidazol-1-yl]-(4-nitrophenyl)methanone
CID 71349141

Frequently Asked Questions

What is the IUPAC name of (2-benzylbenzimidazol-1-yl)-(4-hydroxyphenyl)methanone?
The IUPAC name of (2-benzylbenzimidazol-1-yl)-(4-hydroxyphenyl)methanone (CID 23766408) is (2-benzylbenzimidazol-1-yl)-(4-hydroxyphenyl)methanone.
What is the SMILES notation for (2-benzylbenzimidazol-1-yl)-(4-hydroxyphenyl)methanone?
The canonical SMILES for (2-benzylbenzimidazol-1-yl)-(4-hydroxyphenyl)methanone is O=C(c1ccc(O)cc1)n1c(Cc2ccccc2)nc2ccccc21.
What is the InChIKey of (2-benzylbenzimidazol-1-yl)-(4-hydroxyphenyl)methanone?
The InChIKey is BWGMASCGRXFUCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H16N2O2/c24-17-12-10-16(11-13-17)21(25)23-19-9-5-4-8-18(19)22-20(23)14-15-6-2-1-3-7-15/h1-13,24H,14H2.
What are the key properties of (2-benzylbenzimidazol-1-yl)-(4-hydroxyphenyl)methanone?
(2-benzylbenzimidazol-1-yl)-(4-hydroxyphenyl)methanone has a molecular weight of 328.37 g/mol, XLogP of 4.02, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2-benzylbenzimidazol-1-yl)-(4-hydroxyphenyl)methanone is sourced from PubChem (CID 23766408), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).