1H-benzimidazol-2-yl(cyclopenta-1,4-dien-1-yl)methanol

C13H11N2O- — CID 91928092

IUPAC1H-benzimidazol-2-yl(cyclopenta-1,4-dien-1-yl)methanol
SMILESOC(c1cc[cH-]c1)c1nc2ccccc2[nH]1
InChIInChI=1S/C13H11N2O/c16-12(9-5-1-2-6-9)13-14-10-7-3-4-8-11(10)15-13/h1-8,12,16H,(H,14,15)/q-1
InChIKeyUVVZMHKQURLBDY-UHFFFAOYSA-N
MW211.24 g/mol
LogP2.36
Rot. Bonds2

About 1H-benzimidazol-2-yl(cyclopenta-1,4-dien-1-yl)methanol

1H-benzimidazol-2-yl(cyclopenta-1,4-dien-1-yl)methanol (PubChem CID 91928092) has the molecular formula C13H11N2O- and a molecular weight of 211.24 g/mol. Its IUPAC name is 1H-benzimidazol-2-yl(cyclopenta-1,4-dien-1-yl)methanol.

Molecular Properties

Compound Name1H-benzimidazol-2-yl(cyclopenta-1,4-dien-1-yl)methanol
PubChem CID91928092
Molecular FormulaC13H11N2O-
Molecular Weight211.24 g/mol
Exact Mass211.09
IUPAC Name1H-benzimidazol-2-yl(cyclopenta-1,4-dien-1-yl)methanol
SMILESOC(c1cc[cH-]c1)c1nc2ccccc2[nH]1
InChIInChI=1S/C13H11N2O/c16-12(9-5-1-2-6-9)13-14-10-7-3-4-8-11(10)15-13/h1-8,12,16H,(H,14,15)/q-1
InChIKeyUVVZMHKQURLBDY-UHFFFAOYSA-N
XLogP2.36
TPSA48.91 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.24
LogP ≤ 52.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

bis(1H-benzimidazol-2-yl)methanol
CID 3747179
1H-benzimidazol-2-yl-(4-chlorophenyl)methanol
CID 21125
(1S)-1-(1H-benzimidazol-2-yl)ethanol
CID 139074850
1,3-bis(1H-benzimidazol-2-yl)propane-1,2,3-triol
CID 2772761
(2S,3S)-3-(1H-benzimidazol-2-yl)-1,1,1-trichloro-3-phenylpropan-2-ol
CID 1278594
2-propan-2-yl-1H-benzimidazole
CID 22121
1H-benzimidazol-2-yl-[4-(3-chloropyrazin-2-yl)oxyphenyl]methanol
CID 143998201
3-(1H-benzimidazol-2-yl)-2,3-dihydroxypropanoic acid
CID 2828965
(2R,3S)-3-(1H-benzimidazol-2-yl)-2,3-dihydroxypropanoic acid
CID 785137
1-(1H-benzimidazol-2-yl)-2-(methylamino)ethanol
CID 82603982
3-(1H-benzimidazol-2-yl)-2,3-dihydroxypropanamide
CID 132781902
[(1R)-1-(1H-benzimidazol-2-yl)-2-methylpropyl]azanium
CID 7008225

Frequently Asked Questions

What is the IUPAC name of 1H-benzimidazol-2-yl(cyclopenta-1,4-dien-1-yl)methanol?
The IUPAC name of 1H-benzimidazol-2-yl(cyclopenta-1,4-dien-1-yl)methanol (CID 91928092) is 1H-benzimidazol-2-yl(cyclopenta-1,4-dien-1-yl)methanol.
What is the SMILES notation for 1H-benzimidazol-2-yl(cyclopenta-1,4-dien-1-yl)methanol?
The canonical SMILES for 1H-benzimidazol-2-yl(cyclopenta-1,4-dien-1-yl)methanol is OC(c1cc[cH-]c1)c1nc2ccccc2[nH]1.
What is the InChIKey of 1H-benzimidazol-2-yl(cyclopenta-1,4-dien-1-yl)methanol?
The InChIKey is UVVZMHKQURLBDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11N2O/c16-12(9-5-1-2-6-9)13-14-10-7-3-4-8-11(10)15-13/h1-8,12,16H,(H,14,15)/q-1.
What are the key properties of 1H-benzimidazol-2-yl(cyclopenta-1,4-dien-1-yl)methanol?
1H-benzimidazol-2-yl(cyclopenta-1,4-dien-1-yl)methanol has a molecular weight of 211.24 g/mol, XLogP of 2.36, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1H-benzimidazol-2-yl(cyclopenta-1,4-dien-1-yl)methanol is sourced from PubChem (CID 91928092), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).