[6-(5,6-dimethylbenzimidazol-1-yl)-3-pyridinyl]methanol

C15H15N3O — CID 61258131

IUPAC[6-(5,6-dimethylbenzimidazol-1-yl)-3-pyridinyl]methanol
SMILESCc1cc2ncn(-c3ccc(CO)cn3)c2cc1C
InChIInChI=1S/C15H15N3O/c1-10-5-13-14(6-11(10)2)18(9-17-13)15-4-3-12(8-19)7-16-15/h3-7,9,19H,8H2,1-2H3
InChIKeyLGGIMVKCUUCNMO-UHFFFAOYSA-N
MW253.30 g/mol
LogP2.53
Rot. Bonds2

About [6-(5,6-dimethylbenzimidazol-1-yl)-3-pyridinyl]methanol

[6-(5,6-dimethylbenzimidazol-1-yl)-3-pyridinyl]methanol (PubChem CID 61258131) has the molecular formula C15H15N3O and a molecular weight of 253.30 g/mol. Its IUPAC name is [6-(5,6-dimethylbenzimidazol-1-yl)-3-pyridinyl]methanol.

Molecular Properties

Compound Name[6-(5,6-dimethylbenzimidazol-1-yl)-3-pyridinyl]methanol
PubChem CID61258131
Molecular FormulaC15H15N3O
Molecular Weight253.30 g/mol
Exact Mass253.12
IUPAC Name[6-(5,6-dimethylbenzimidazol-1-yl)-3-pyridinyl]methanol
SMILESCc1cc2ncn(-c3ccc(CO)cn3)c2cc1C
InChIInChI=1S/C15H15N3O/c1-10-5-13-14(6-11(10)2)18(9-17-13)15-4-3-12(8-19)7-16-15/h3-7,9,19H,8H2,1-2H3
InChIKeyLGGIMVKCUUCNMO-UHFFFAOYSA-N
XLogP2.53
TPSA50.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.30
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-(5,6-dimethylbenzimidazol-1-yl)-3-pyridinyl]methanol?
The IUPAC name of [6-(5,6-dimethylbenzimidazol-1-yl)-3-pyridinyl]methanol (CID 61258131) is [6-(5,6-dimethylbenzimidazol-1-yl)-3-pyridinyl]methanol.
What is the SMILES notation for [6-(5,6-dimethylbenzimidazol-1-yl)-3-pyridinyl]methanol?
The canonical SMILES for [6-(5,6-dimethylbenzimidazol-1-yl)-3-pyridinyl]methanol is Cc1cc2ncn(-c3ccc(CO)cn3)c2cc1C.
What is the InChIKey of [6-(5,6-dimethylbenzimidazol-1-yl)-3-pyridinyl]methanol?
The InChIKey is LGGIMVKCUUCNMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15N3O/c1-10-5-13-14(6-11(10)2)18(9-17-13)15-4-3-12(8-19)7-16-15/h3-7,9,19H,8H2,1-2H3.
What are the key properties of [6-(5,6-dimethylbenzimidazol-1-yl)-3-pyridinyl]methanol?
[6-(5,6-dimethylbenzimidazol-1-yl)-3-pyridinyl]methanol has a molecular weight of 253.30 g/mol, XLogP of 2.53, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [6-(5,6-dimethylbenzimidazol-1-yl)-3-pyridinyl]methanol is sourced from PubChem (CID 61258131), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).