[2-(3-hydroxypropyl)-3H-benzimidazol-5-yl]-phenylmethanone

C17H16N2O2 — CID 79204635

IUPAC[2-(3-hydroxypropyl)-3H-benzimidazol-5-yl]-phenylmethanone
SMILESO=C(c1ccccc1)c1ccc2nc(CCCO)[nH]c2c1
InChIInChI=1S/C17H16N2O2/c20-10-4-7-16-18-14-9-8-13(11-15(14)19-16)17(21)12-5-2-1-3-6-12/h1-3,5-6,8-9,11,20H,4,7,10H2,(H,18,19)
InChIKeyDPZFEBGLOSCYHP-UHFFFAOYSA-N
MW280.33 g/mol
LogP2.72
Rot. Bonds5

About [2-(3-hydroxypropyl)-3H-benzimidazol-5-yl]-phenylmethanone

[2-(3-hydroxypropyl)-3H-benzimidazol-5-yl]-phenylmethanone (PubChem CID 79204635) has the molecular formula C17H16N2O2 and a molecular weight of 280.33 g/mol. Its IUPAC name is [2-(3-hydroxypropyl)-3H-benzimidazol-5-yl]-phenylmethanone.

Molecular Properties

Compound Name[2-(3-hydroxypropyl)-3H-benzimidazol-5-yl]-phenylmethanone
PubChem CID79204635
Molecular FormulaC17H16N2O2
Molecular Weight280.33 g/mol
Exact Mass280.12
IUPAC Name[2-(3-hydroxypropyl)-3H-benzimidazol-5-yl]-phenylmethanone
SMILESO=C(c1ccccc1)c1ccc2nc(CCCO)[nH]c2c1
InChIInChI=1S/C17H16N2O2/c20-10-4-7-16-18-14-9-8-13(11-15(14)19-16)17(21)12-5-2-1-3-6-12/h1-3,5-6,8-9,11,20H,4,7,10H2,(H,18,19)
InChIKeyDPZFEBGLOSCYHP-UHFFFAOYSA-N
XLogP2.72
TPSA65.98 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.33
LogP ≤ 52.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-(6-bromo-1H-benzimidazol-2-yl)propan-1-ol
CID 4162826
3-(6-amino-1H-benzimidazol-2-yl)propan-1-ol
CID 3096134
3-[6-[amino(phenyl)methyl]-1H-benzimidazol-2-yl]propan-1-ol
CID 79204636
3-[6-[6-(6-phenyl-1H-benzimidazol-2-yl)-1H-benzimidazol-2-yl]-1H-benzimidazol-2-yl]propan-1-ol
CID 71241541
2-pentadecyl-3H-benzimidazole-5-carboxylic acid;hydrochloride
CID 158269764
3-[6-(1H-benzimidazol-2-yl)-1H-benzimidazol-2-yl]propan-1-ol
CID 5153534
2-(3,3-dimethylbutyl)-3H-benzimidazole-5-carboxylic acid
CID 11288070
2-[3-(diethylamino)propyl]-3H-benzimidazole-5-carboxylic acid
CID 100586689
bis(2-phenyl-3H-benzimidazol-5-yl)methanone
CID 174583837
[2-[(1S)-1-hydroxyethyl]-3H-benzimidazol-5-yl]-phenylmethanone
CID 66263156
5-(6-hydroxy-1H-benzimidazol-2-yl)pentanoic acid
CID 81431385
2-(3-methoxy-3-oxopropyl)-3H-benzimidazole-5-carboxylic acid
CID 18740804

Frequently Asked Questions

What is the IUPAC name of [2-(3-hydroxypropyl)-3H-benzimidazol-5-yl]-phenylmethanone?
The IUPAC name of [2-(3-hydroxypropyl)-3H-benzimidazol-5-yl]-phenylmethanone (CID 79204635) is [2-(3-hydroxypropyl)-3H-benzimidazol-5-yl]-phenylmethanone.
What is the SMILES notation for [2-(3-hydroxypropyl)-3H-benzimidazol-5-yl]-phenylmethanone?
The canonical SMILES for [2-(3-hydroxypropyl)-3H-benzimidazol-5-yl]-phenylmethanone is O=C(c1ccccc1)c1ccc2nc(CCCO)[nH]c2c1.
What is the InChIKey of [2-(3-hydroxypropyl)-3H-benzimidazol-5-yl]-phenylmethanone?
The InChIKey is DPZFEBGLOSCYHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16N2O2/c20-10-4-7-16-18-14-9-8-13(11-15(14)19-16)17(21)12-5-2-1-3-6-12/h1-3,5-6,8-9,11,20H,4,7,10H2,(H,18,19).
What are the key properties of [2-(3-hydroxypropyl)-3H-benzimidazol-5-yl]-phenylmethanone?
[2-(3-hydroxypropyl)-3H-benzimidazol-5-yl]-phenylmethanone has a molecular weight of 280.33 g/mol, XLogP of 2.72, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(3-hydroxypropyl)-3H-benzimidazol-5-yl]-phenylmethanone is sourced from PubChem (CID 79204635), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).