3,6-dihydro-2H-pyridin-1-yl-[2-(4-hydroxyphenyl)-3H-benzimidazol-5-yl]methanone

C19H17N3O2 — CID 137256868

IUPAC3,6-dihydro-2H-pyridin-1-yl-[2-(4-hydroxyphenyl)-3H-benzimidazol-5-yl]methanone
SMILESO=C(c1ccc2nc(-c3ccc(O)cc3)[nH]c2c1)N1CC=CCC1
InChIInChI=1S/C19H17N3O2/c23-15-7-4-13(5-8-15)18-20-16-9-6-14(12-17(16)21-18)19(24)22-10-2-1-3-11-22/h1-2,4-9,12,23H,3,10-11H2,(H,20,21)
InChIKeyKTBQPVOPTAAFQY-UHFFFAOYSA-N
MW319.36 g/mol
LogP3.34
Rot. Bonds2

About 3,6-dihydro-2H-pyridin-1-yl-[2-(4-hydroxyphenyl)-3H-benzimidazol-5-yl]methanone

3,6-dihydro-2H-pyridin-1-yl-[2-(4-hydroxyphenyl)-3H-benzimidazol-5-yl]methanone (PubChem CID 137256868) has the molecular formula C19H17N3O2 and a molecular weight of 319.36 g/mol. Its IUPAC name is 3,6-dihydro-2H-pyridin-1-yl-[2-(4-hydroxyphenyl)-3H-benzimidazol-5-yl]methanone.

Molecular Properties

Compound Name3,6-dihydro-2H-pyridin-1-yl-[2-(4-hydroxyphenyl)-3H-benzimidazol-5-yl]methanone
PubChem CID137256868
Molecular FormulaC19H17N3O2
Molecular Weight319.36 g/mol
Exact Mass319.13
IUPAC Name3,6-dihydro-2H-pyridin-1-yl-[2-(4-hydroxyphenyl)-3H-benzimidazol-5-yl]methanone
SMILESO=C(c1ccc2nc(-c3ccc(O)cc3)[nH]c2c1)N1CC=CCC1
InChIInChI=1S/C19H17N3O2/c23-15-7-4-13(5-8-15)18-20-16-9-6-14(12-17(16)21-18)19(24)22-10-2-1-3-11-22/h1-2,4-9,12,23H,3,10-11H2,(H,20,21)
InChIKeyKTBQPVOPTAAFQY-UHFFFAOYSA-N
XLogP3.34
TPSA69.22 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.36
LogP ≤ 53.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

2-(4-hydroxyphenyl)-3H-benzimidazole-5-carboxylic acid
CID 162148176
2-hydroxy-1-[2-(4-hydroxyphenyl)-3H-benzimidazol-5-yl]ethanone
CID 157105688
phenyl-[3-[4-(2-phenyl-3H-benzimidazole-5-carbonyl)piperazin-1-yl]azetidin-1-yl]methanone
CID 66840430
3,6-dihydro-2H-pyridin-1-yl(1H-indazol-6-yl)methanone
CID 115970007
4-[6-[2-(4-carboxyphenyl)-3H-benzimidazol-5-yl]-1H-benzimidazol-2-yl]benzoic acid
CID 1211927
2-(4-aminophenyl)-3H-benzimidazole-5-carboxylic acid
CID 774873
3,6-dihydro-2H-pyridin-1-yl-(3-fluorophenyl)methanone
CID 141178396
4-(6-amino-1H-benzimidazol-2-yl)phenol
CID 763218
bis(2-phenyl-3H-benzimidazol-5-yl)methanone
CID 174583837
(4-benzylpiperazin-1-yl)-[4-(6-chloro-1H-benzimidazol-2-yl)phenyl]methanone
CID 100580536
[4-(5,6-dichloro-1H-benzimidazol-2-yl)phenyl]-piperidin-1-ylmethanone
CID 25197901
2-pyridin-4-yl-3H-benzimidazole-5-carboxylic acid
CID 2771800

Frequently Asked Questions

What is the IUPAC name of 3,6-dihydro-2H-pyridin-1-yl-[2-(4-hydroxyphenyl)-3H-benzimidazol-5-yl]methanone?
The IUPAC name of 3,6-dihydro-2H-pyridin-1-yl-[2-(4-hydroxyphenyl)-3H-benzimidazol-5-yl]methanone (CID 137256868) is 3,6-dihydro-2H-pyridin-1-yl-[2-(4-hydroxyphenyl)-3H-benzimidazol-5-yl]methanone.
What is the SMILES notation for 3,6-dihydro-2H-pyridin-1-yl-[2-(4-hydroxyphenyl)-3H-benzimidazol-5-yl]methanone?
The canonical SMILES for 3,6-dihydro-2H-pyridin-1-yl-[2-(4-hydroxyphenyl)-3H-benzimidazol-5-yl]methanone is O=C(c1ccc2nc(-c3ccc(O)cc3)[nH]c2c1)N1CC=CCC1.
What is the InChIKey of 3,6-dihydro-2H-pyridin-1-yl-[2-(4-hydroxyphenyl)-3H-benzimidazol-5-yl]methanone?
The InChIKey is KTBQPVOPTAAFQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17N3O2/c23-15-7-4-13(5-8-15)18-20-16-9-6-14(12-17(16)21-18)19(24)22-10-2-1-3-11-22/h1-2,4-9,12,23H,3,10-11H2,(H,20,21).
What are the key properties of 3,6-dihydro-2H-pyridin-1-yl-[2-(4-hydroxyphenyl)-3H-benzimidazol-5-yl]methanone?
3,6-dihydro-2H-pyridin-1-yl-[2-(4-hydroxyphenyl)-3H-benzimidazol-5-yl]methanone has a molecular weight of 319.36 g/mol, XLogP of 3.34, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,6-dihydro-2H-pyridin-1-yl-[2-(4-hydroxyphenyl)-3H-benzimidazol-5-yl]methanone is sourced from PubChem (CID 137256868), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).