(1R)-1-(1-prop-2-ynylbenzimidazol-2-yl)propan-1-ol

C13H14N2O — CID 40699118

IUPAC(1R)-1-(1-prop-2-ynylbenzimidazol-2-yl)propan-1-ol
SMILESC#CCn1c([C@H](O)CC)nc2ccccc21
InChIInChI=1S/C13H14N2O/c1-3-9-15-11-8-6-5-7-10(11)14-13(15)12(16)4-2/h1,5-8,12,16H,4,9H2,2H3/t12-/m1/s1
InChIKeyXABHRJVTLICKJH-GFCCVEGCSA-N
MW214.27 g/mol
LogP2.11
Rot. Bonds3

About (1R)-1-(1-prop-2-ynylbenzimidazol-2-yl)propan-1-ol

(1R)-1-(1-prop-2-ynylbenzimidazol-2-yl)propan-1-ol (PubChem CID 40699118) has the molecular formula C13H14N2O and a molecular weight of 214.27 g/mol. Its IUPAC name is (1R)-1-(1-prop-2-ynylbenzimidazol-2-yl)propan-1-ol.

Molecular Properties

Compound Name(1R)-1-(1-prop-2-ynylbenzimidazol-2-yl)propan-1-ol
PubChem CID40699118
Molecular FormulaC13H14N2O
Molecular Weight214.27 g/mol
Exact Mass214.11
IUPAC Name(1R)-1-(1-prop-2-ynylbenzimidazol-2-yl)propan-1-ol
SMILESC#CCn1c([C@H](O)CC)nc2ccccc21
InChIInChI=1S/C13H14N2O/c1-3-9-15-11-8-6-5-7-10(11)14-13(15)12(16)4-2/h1,5-8,12,16H,4,9H2,2H3/t12-/m1/s1
InChIKeyXABHRJVTLICKJH-GFCCVEGCSA-N
XLogP2.11
TPSA38.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.27
LogP ≤ 52.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(1S)-1-[1-(2-methylpropyl)benzimidazol-2-yl]propan-1-ol
CID 40699134
(1R)-1-(1-methylbenzimidazol-2-yl)propan-1-ol
CID 40639273
(1R)-1-[1-(3-phenoxypropyl)benzimidazol-2-yl]propan-1-ol
CID 40699156
N-[1-(1-prop-2-ynylbenzimidazol-2-yl)ethyl]prop-2-enamide
CID 16969944
1-[1-[3-(4-ethylphenoxy)propyl]benzimidazol-2-yl]propan-1-ol
CID 6491547
1-[1-[4-(4-methylphenoxy)butyl]benzimidazol-2-yl]propan-1-ol
CID 3161879
(1R)-1-[1-[(1S)-1-phenylethyl]benzimidazol-2-yl]propan-1-ol
CID 40692444
1-[1-(3-methylbutyl)benzimidazol-2-yl]butan-1-ol
CID 17027807
1-[1-[3-(3-methoxyphenoxy)propyl]benzimidazol-2-yl]propan-1-ol;hydrochloride
CID 16615626
3-methoxy-N-[1-(1-prop-2-ynylbenzimidazol-2-yl)ethyl]benzamide
CID 17010092
2-[2-(1-piperidin-1-ylpropyl)benzimidazol-1-yl]acetonitrile
CID 82311252
1-[1-[2-(4-chloro-3-methylphenoxy)ethyl]benzimidazol-2-yl]propan-1-ol
CID 23607145

Frequently Asked Questions

What is the IUPAC name of (1R)-1-(1-prop-2-ynylbenzimidazol-2-yl)propan-1-ol?
The IUPAC name of (1R)-1-(1-prop-2-ynylbenzimidazol-2-yl)propan-1-ol (CID 40699118) is (1R)-1-(1-prop-2-ynylbenzimidazol-2-yl)propan-1-ol.
What is the SMILES notation for (1R)-1-(1-prop-2-ynylbenzimidazol-2-yl)propan-1-ol?
The canonical SMILES for (1R)-1-(1-prop-2-ynylbenzimidazol-2-yl)propan-1-ol is C#CCn1c([C@H](O)CC)nc2ccccc21.
What is the InChIKey of (1R)-1-(1-prop-2-ynylbenzimidazol-2-yl)propan-1-ol?
The InChIKey is XABHRJVTLICKJH-GFCCVEGCSA-N. The full InChI is InChI=1S/C13H14N2O/c1-3-9-15-11-8-6-5-7-10(11)14-13(15)12(16)4-2/h1,5-8,12,16H,4,9H2,2H3/t12-/m1/s1.
What are the key properties of (1R)-1-(1-prop-2-ynylbenzimidazol-2-yl)propan-1-ol?
(1R)-1-(1-prop-2-ynylbenzimidazol-2-yl)propan-1-ol has a molecular weight of 214.27 g/mol, XLogP of 2.11, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-1-(1-prop-2-ynylbenzimidazol-2-yl)propan-1-ol is sourced from PubChem (CID 40699118), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).