(1S)-1-[1-(2-methylpropyl)benzimidazol-2-yl]propan-1-ol

C14H20N2O — CID 40699134

IUPAC(1S)-1-[1-(2-methylpropyl)benzimidazol-2-yl]propan-1-ol
SMILESCC[C@H](O)c1nc2ccccc2n1CC(C)C
InChIInChI=1S/C14H20N2O/c1-4-13(17)14-15-11-7-5-6-8-12(11)16(14)9-10(2)3/h5-8,10,13,17H,4,9H2,1-3H3/t13-/m0/s1
InChIKeyBFHBHANBTOZKHS-ZDUSSCGKSA-N
MW232.33 g/mol
LogP3.14
Rot. Bonds4

About (1S)-1-[1-(2-methylpropyl)benzimidazol-2-yl]propan-1-ol

(1S)-1-[1-(2-methylpropyl)benzimidazol-2-yl]propan-1-ol (PubChem CID 40699134) has the molecular formula C14H20N2O and a molecular weight of 232.33 g/mol. Its IUPAC name is (1S)-1-[1-(2-methylpropyl)benzimidazol-2-yl]propan-1-ol.

Molecular Properties

Compound Name(1S)-1-[1-(2-methylpropyl)benzimidazol-2-yl]propan-1-ol
PubChem CID40699134
Molecular FormulaC14H20N2O
Molecular Weight232.33 g/mol
Exact Mass232.16
IUPAC Name(1S)-1-[1-(2-methylpropyl)benzimidazol-2-yl]propan-1-ol
SMILESCC[C@H](O)c1nc2ccccc2n1CC(C)C
InChIInChI=1S/C14H20N2O/c1-4-13(17)14-15-11-7-5-6-8-12(11)16(14)9-10(2)3/h5-8,10,13,17H,4,9H2,1-3H3/t13-/m0/s1
InChIKeyBFHBHANBTOZKHS-ZDUSSCGKSA-N
XLogP3.14
TPSA38.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.33
LogP ≤ 53.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(1R)-1-(1-prop-2-ynylbenzimidazol-2-yl)propan-1-ol
CID 40699118
N-[(1S)-1-[1-(2-methylpropyl)benzimidazol-2-yl]ethyl]propanamide
CID 751204
(1R)-1-[1-(2-methylpropyl)benzimidazol-2-yl]ethanamine;hydrochloride
CID 133143576
(1R)-1-(1-methylbenzimidazol-2-yl)propan-1-ol
CID 40639273
1-[1-(3-methylbutyl)benzimidazol-2-yl]butan-1-ol
CID 17027807
(1R)-1-[1-(3-phenoxypropyl)benzimidazol-2-yl]propan-1-ol
CID 40699156
(1R)-1-[1-[(1S)-1-phenylethyl]benzimidazol-2-yl]propan-1-ol
CID 40692444
(2R)-1-carbazol-9-yl-3-[2-[(1R)-1-hydroxyethyl]benzimidazol-1-yl]propan-2-ol
CID 7000828
N-[(1S)-1-[1-(2-methylpropyl)benzimidazol-2-yl]ethyl]benzamide
CID 5400747
(2S)-1-(2-ethylbenzimidazol-1-yl)propan-2-ol
CID 51975802
N-[1-[1-(2-methylpropyl)benzimidazol-2-yl]ethyl]prop-2-enamide
CID 16969940
1-[1-[3-(4-ethylphenoxy)propyl]benzimidazol-2-yl]propan-1-ol
CID 6491547

Frequently Asked Questions

What is the IUPAC name of (1S)-1-[1-(2-methylpropyl)benzimidazol-2-yl]propan-1-ol?
The IUPAC name of (1S)-1-[1-(2-methylpropyl)benzimidazol-2-yl]propan-1-ol (CID 40699134) is (1S)-1-[1-(2-methylpropyl)benzimidazol-2-yl]propan-1-ol.
What is the SMILES notation for (1S)-1-[1-(2-methylpropyl)benzimidazol-2-yl]propan-1-ol?
The canonical SMILES for (1S)-1-[1-(2-methylpropyl)benzimidazol-2-yl]propan-1-ol is CC[C@H](O)c1nc2ccccc2n1CC(C)C.
What is the InChIKey of (1S)-1-[1-(2-methylpropyl)benzimidazol-2-yl]propan-1-ol?
The InChIKey is BFHBHANBTOZKHS-ZDUSSCGKSA-N. The full InChI is InChI=1S/C14H20N2O/c1-4-13(17)14-15-11-7-5-6-8-12(11)16(14)9-10(2)3/h5-8,10,13,17H,4,9H2,1-3H3/t13-/m0/s1.
What are the key properties of (1S)-1-[1-(2-methylpropyl)benzimidazol-2-yl]propan-1-ol?
(1S)-1-[1-(2-methylpropyl)benzimidazol-2-yl]propan-1-ol has a molecular weight of 232.33 g/mol, XLogP of 3.14, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-1-[1-(2-methylpropyl)benzimidazol-2-yl]propan-1-ol is sourced from PubChem (CID 40699134), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).