1-[5-(benzimidazol-1-yl)-2-pyridinyl]propan-1-ol

C15H15N3O — CID 112585509

IUPAC1-[5-(benzimidazol-1-yl)-2-pyridinyl]propan-1-ol
SMILESCCC(O)c1ccc(-n2cnc3ccccc32)cn1
InChIInChI=1S/C15H15N3O/c1-2-15(19)13-8-7-11(9-16-13)18-10-17-12-5-3-4-6-14(12)18/h3-10,15,19H,2H2,1H3
InChIKeyNZDJJPYIIKKXOD-UHFFFAOYSA-N
MW253.31 g/mol
LogP2.86
Rot. Bonds3

About 1-[5-(benzimidazol-1-yl)-2-pyridinyl]propan-1-ol

1-[5-(benzimidazol-1-yl)-2-pyridinyl]propan-1-ol (PubChem CID 112585509) has the molecular formula C15H15N3O and a molecular weight of 253.31 g/mol. Its IUPAC name is 1-[5-(benzimidazol-1-yl)-2-pyridinyl]propan-1-ol.

Molecular Properties

Compound Name1-[5-(benzimidazol-1-yl)-2-pyridinyl]propan-1-ol
PubChem CID112585509
Molecular FormulaC15H15N3O
Molecular Weight253.31 g/mol
Exact Mass253.12
IUPAC Name1-[5-(benzimidazol-1-yl)-2-pyridinyl]propan-1-ol
SMILESCCC(O)c1ccc(-n2cnc3ccccc32)cn1
InChIInChI=1S/C15H15N3O/c1-2-15(19)13-8-7-11(9-16-13)18-10-17-12-5-3-4-6-14(12)18/h3-10,15,19H,2H2,1H3
InChIKeyNZDJJPYIIKKXOD-UHFFFAOYSA-N
XLogP2.86
TPSA50.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.31
LogP ≤ 52.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(1R)-1-[5-(benzimidazol-1-yl)-2-pyridinyl]propan-1-amine
CID 103937579
(1R)-1-[5-(2-methylimidazol-1-yl)-2-pyridinyl]propan-1-ol
CID 103938966
1-(4-ethoxyphenyl)benzimidazole
CID 175001446
4-(benzimidazol-1-yl)-N-butan-2-ylbenzamide
CID 24624881
4-(benzimidazol-1-yl)-N-[(2S)-pentan-2-yl]benzamide
CID 30332300
(1S)-1-[5-(3,5-dimethyl-1,2,4-triazol-1-yl)-2-pyridinyl]propan-1-ol
CID 113355424
4-(benzimidazol-1-yl)-N-(1-hydroxybutan-2-yl)benzamide
CID 110880427
(1S)-1-[4-(benzimidazol-1-yl)phenyl]ethanamine
CID 25324450
1-[4-(benzimidazol-1-yl)phenyl]propan-2-amine
CID 55237590
1-[6-(1H-1,2,4-triazol-5-yl)-3-pyridinyl]benzimidazole
CID 175588349
(1R)-1-(1-methylbenzimidazol-2-yl)propan-1-ol
CID 40639273
4-(benzimidazol-1-yl)-N-[2-(diethylamino)-2-oxoethyl]-N-methylbenzamide
CID 31370181

Frequently Asked Questions

What is the IUPAC name of 1-[5-(benzimidazol-1-yl)-2-pyridinyl]propan-1-ol?
The IUPAC name of 1-[5-(benzimidazol-1-yl)-2-pyridinyl]propan-1-ol (CID 112585509) is 1-[5-(benzimidazol-1-yl)-2-pyridinyl]propan-1-ol.
What is the SMILES notation for 1-[5-(benzimidazol-1-yl)-2-pyridinyl]propan-1-ol?
The canonical SMILES for 1-[5-(benzimidazol-1-yl)-2-pyridinyl]propan-1-ol is CCC(O)c1ccc(-n2cnc3ccccc32)cn1.
What is the InChIKey of 1-[5-(benzimidazol-1-yl)-2-pyridinyl]propan-1-ol?
The InChIKey is NZDJJPYIIKKXOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15N3O/c1-2-15(19)13-8-7-11(9-16-13)18-10-17-12-5-3-4-6-14(12)18/h3-10,15,19H,2H2,1H3.
What are the key properties of 1-[5-(benzimidazol-1-yl)-2-pyridinyl]propan-1-ol?
1-[5-(benzimidazol-1-yl)-2-pyridinyl]propan-1-ol has a molecular weight of 253.31 g/mol, XLogP of 2.86, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-(benzimidazol-1-yl)-2-pyridinyl]propan-1-ol is sourced from PubChem (CID 112585509), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).