(6-methoxy-3-phenylbenzimidazol-5-yl)methanol

C15H14N2O2 — CID 5328533

IUPAC(6-methoxy-3-phenylbenzimidazol-5-yl)methanol
SMILESCOc1cc2ncn(-c3ccccc3)c2cc1CO
InChIInChI=1S/C15H14N2O2/c1-19-15-8-13-14(7-11(15)9-18)17(10-16-13)12-5-3-2-4-6-12/h2-8,10,18H,9H2,1H3
InChIKeyLGRRHBCWSVNDAX-UHFFFAOYSA-N
MW254.29 g/mol
LogP2.53
Rot. Bonds3

About (6-methoxy-3-phenylbenzimidazol-5-yl)methanol

(6-methoxy-3-phenylbenzimidazol-5-yl)methanol (PubChem CID 5328533) has the molecular formula C15H14N2O2 and a molecular weight of 254.29 g/mol. Its IUPAC name is (6-methoxy-3-phenylbenzimidazol-5-yl)methanol.

Molecular Properties

Compound Name(6-methoxy-3-phenylbenzimidazol-5-yl)methanol
PubChem CID5328533
Molecular FormulaC15H14N2O2
Molecular Weight254.29 g/mol
Exact Mass254.11
IUPAC Name(6-methoxy-3-phenylbenzimidazol-5-yl)methanol
SMILESCOc1cc2ncn(-c3ccccc3)c2cc1CO
InChIInChI=1S/C15H14N2O2/c1-19-15-8-13-14(7-11(15)9-18)17(10-16-13)12-5-3-2-4-6-12/h2-8,10,18H,9H2,1H3
InChIKeyLGRRHBCWSVNDAX-UHFFFAOYSA-N
XLogP2.53
TPSA47.28 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.29
LogP ≤ 52.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (6-methoxy-3-phenylbenzimidazol-5-yl)methanol?
The IUPAC name of (6-methoxy-3-phenylbenzimidazol-5-yl)methanol (CID 5328533) is (6-methoxy-3-phenylbenzimidazol-5-yl)methanol.
What is the SMILES notation for (6-methoxy-3-phenylbenzimidazol-5-yl)methanol?
The canonical SMILES for (6-methoxy-3-phenylbenzimidazol-5-yl)methanol is COc1cc2ncn(-c3ccccc3)c2cc1CO.
What is the InChIKey of (6-methoxy-3-phenylbenzimidazol-5-yl)methanol?
The InChIKey is LGRRHBCWSVNDAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14N2O2/c1-19-15-8-13-14(7-11(15)9-18)17(10-16-13)12-5-3-2-4-6-12/h2-8,10,18H,9H2,1H3.
What are the key properties of (6-methoxy-3-phenylbenzimidazol-5-yl)methanol?
(6-methoxy-3-phenylbenzimidazol-5-yl)methanol has a molecular weight of 254.29 g/mol, XLogP of 2.53, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (6-methoxy-3-phenylbenzimidazol-5-yl)methanol is sourced from PubChem (CID 5328533), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).