[2-(5-methyl-3-pyridinyl)-1-(oxolan-2-ylmethyl)benzimidazol-5-yl]methanol

C19H21N3O2 — CID 175349938

IUPAC[2-(5-methyl-3-pyridinyl)-1-(oxolan-2-ylmethyl)benzimidazol-5-yl]methanol
SMILESCc1cncc(-c2nc3cc(CO)ccc3n2CC2CCCO2)c1
InChIInChI=1S/C19H21N3O2/c1-13-7-15(10-20-9-13)19-21-17-8-14(12-23)4-5-18(17)22(19)11-16-3-2-6-24-16/h4-5,7-10,16,23H,2-3,6,11-12H2,1H3
InChIKeyZEBNXEZAAQHMHE-UHFFFAOYSA-N
MW323.40 g/mol
LogP3.08
Rot. Bonds4

About [2-(5-methyl-3-pyridinyl)-1-(oxolan-2-ylmethyl)benzimidazol-5-yl]methanol

[2-(5-methyl-3-pyridinyl)-1-(oxolan-2-ylmethyl)benzimidazol-5-yl]methanol (PubChem CID 175349938) has the molecular formula C19H21N3O2 and a molecular weight of 323.40 g/mol. Its IUPAC name is [2-(5-methyl-3-pyridinyl)-1-(oxolan-2-ylmethyl)benzimidazol-5-yl]methanol.

Molecular Properties

Compound Name[2-(5-methyl-3-pyridinyl)-1-(oxolan-2-ylmethyl)benzimidazol-5-yl]methanol
PubChem CID175349938
Molecular FormulaC19H21N3O2
Molecular Weight323.40 g/mol
Exact Mass323.16
IUPAC Name[2-(5-methyl-3-pyridinyl)-1-(oxolan-2-ylmethyl)benzimidazol-5-yl]methanol
SMILESCc1cncc(-c2nc3cc(CO)ccc3n2CC2CCCO2)c1
InChIInChI=1S/C19H21N3O2/c1-13-7-15(10-20-9-13)19-21-17-8-14(12-23)4-5-18(17)22(19)11-16-3-2-6-24-16/h4-5,7-10,16,23H,2-3,6,11-12H2,1H3
InChIKeyZEBNXEZAAQHMHE-UHFFFAOYSA-N
XLogP3.08
TPSA60.17 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.40
LogP ≤ 53.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

5-chloro-2-methyl-1-(oxolan-2-ylmethyl)benzimidazole
CID 46310061
2,6-dimethyl-4-[5-morpholin-4-ylsulfonyl-1-[[(2R)-oxolan-2-yl]methyl]benzimidazol-2-yl]phenol
CID 136791714
4-[2-(4-tert-butylphenyl)-1-(oxolan-2-ylmethyl)benzimidazol-5-yl]sulfonylmorpholine
CID 112769852
tert-butyl (2S,3R)-2-[[2-(1,5-dimethyl-6-oxo-3-pyridinyl)-1-[[(2S)-oxolan-2-yl]methyl]benzimidazol-5-yl]methylamino]-3-hydroxybutanoate
CID 134252940
2-(3-methylphenyl)-1-(oxolan-2-ylmethyl)-5,6,7,8-tetrahydroquinazoline-4-thione
CID 2974227
[1-[[(2S)-oxolan-2-yl]methyl]benzimidazol-5-yl]methanamine
CID 94934820
[1-ethyl-2-(oxolan-2-ylmethyl)benzimidazol-5-yl]methanamine
CID 65159867
N-methyl-1-[1-(oxolan-2-ylmethyl)-5-(trifluoromethyl)benzimidazol-2-yl]methanamine
CID 46310132
2-[(4-methylphenyl)methylsulfanyl]-1-(oxolan-2-ylmethyl)-5-pyrrolidin-1-ylsulfonylbenzimidazole
CID 46096131
methyl 2-(chloromethyl)-1-[[(2S)-oxolan-2-yl]methyl]benzimidazole-5-carboxylate
CID 175589218
(2Z,4E)-4-[5-(aminomethyl)-1-[[(2S)-oxolan-2-yl]methyl]benzimidazol-2-yl]-5-(dimethylamino)-2-methylpenta-2,4-dienal
CID 138642430
N-[2-(hydroxymethyl)-1-methylbenzimidazol-5-yl]-4,6-dimethyl-2-oxo-1-[[(2S)-oxolan-2-yl]methyl]pyridine-3-carboxamide
CID 124842257

Frequently Asked Questions

What is the IUPAC name of [2-(5-methyl-3-pyridinyl)-1-(oxolan-2-ylmethyl)benzimidazol-5-yl]methanol?
The IUPAC name of [2-(5-methyl-3-pyridinyl)-1-(oxolan-2-ylmethyl)benzimidazol-5-yl]methanol (CID 175349938) is [2-(5-methyl-3-pyridinyl)-1-(oxolan-2-ylmethyl)benzimidazol-5-yl]methanol.
What is the SMILES notation for [2-(5-methyl-3-pyridinyl)-1-(oxolan-2-ylmethyl)benzimidazol-5-yl]methanol?
The canonical SMILES for [2-(5-methyl-3-pyridinyl)-1-(oxolan-2-ylmethyl)benzimidazol-5-yl]methanol is Cc1cncc(-c2nc3cc(CO)ccc3n2CC2CCCO2)c1.
What is the InChIKey of [2-(5-methyl-3-pyridinyl)-1-(oxolan-2-ylmethyl)benzimidazol-5-yl]methanol?
The InChIKey is ZEBNXEZAAQHMHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N3O2/c1-13-7-15(10-20-9-13)19-21-17-8-14(12-23)4-5-18(17)22(19)11-16-3-2-6-24-16/h4-5,7-10,16,23H,2-3,6,11-12H2,1H3.
What are the key properties of [2-(5-methyl-3-pyridinyl)-1-(oxolan-2-ylmethyl)benzimidazol-5-yl]methanol?
[2-(5-methyl-3-pyridinyl)-1-(oxolan-2-ylmethyl)benzimidazol-5-yl]methanol has a molecular weight of 323.40 g/mol, XLogP of 3.08, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(5-methyl-3-pyridinyl)-1-(oxolan-2-ylmethyl)benzimidazol-5-yl]methanol is sourced from PubChem (CID 175349938), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).