3-(2-butylbenzimidazol-1-yl)propan-1-ol

C14H20N2O — CID 82149501

IUPAC3-(2-butylbenzimidazol-1-yl)propan-1-ol
SMILESCCCCc1nc2ccccc2n1CCCO
InChIInChI=1S/C14H20N2O/c1-2-3-9-14-15-12-7-4-5-8-13(12)16(14)10-6-11-17/h4-5,7-8,17H,2-3,6,9-11H2,1H3
InChIKeyFUCGKAUDRKTNHY-UHFFFAOYSA-N
MW232.33 g/mol
LogP2.76
Rot. Bonds6

About 3-(2-butylbenzimidazol-1-yl)propan-1-ol

3-(2-butylbenzimidazol-1-yl)propan-1-ol (PubChem CID 82149501) has the molecular formula C14H20N2O and a molecular weight of 232.33 g/mol. Its IUPAC name is 3-(2-butylbenzimidazol-1-yl)propan-1-ol.

Molecular Properties

Compound Name3-(2-butylbenzimidazol-1-yl)propan-1-ol
PubChem CID82149501
Molecular FormulaC14H20N2O
Molecular Weight232.33 g/mol
Exact Mass232.16
IUPAC Name3-(2-butylbenzimidazol-1-yl)propan-1-ol
SMILESCCCCc1nc2ccccc2n1CCCO
InChIInChI=1S/C14H20N2O/c1-2-3-9-14-15-12-7-4-5-8-13(12)16(14)10-6-11-17/h4-5,7-8,17H,2-3,6,9-11H2,1H3
InChIKeyFUCGKAUDRKTNHY-UHFFFAOYSA-N
XLogP2.76
TPSA38.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.33
LogP ≤ 52.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

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3-[2-[(dipropylamino)methyl]benzimidazol-1-yl]propan-1-ol
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3-(1-methylbenzimidazol-2-yl)propan-1-ol
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3-(2-nonylbenzimidazol-1-yl)propanenitrile
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Frequently Asked Questions

What is the IUPAC name of 3-(2-butylbenzimidazol-1-yl)propan-1-ol?
The IUPAC name of 3-(2-butylbenzimidazol-1-yl)propan-1-ol (CID 82149501) is 3-(2-butylbenzimidazol-1-yl)propan-1-ol.
What is the SMILES notation for 3-(2-butylbenzimidazol-1-yl)propan-1-ol?
The canonical SMILES for 3-(2-butylbenzimidazol-1-yl)propan-1-ol is CCCCc1nc2ccccc2n1CCCO.
What is the InChIKey of 3-(2-butylbenzimidazol-1-yl)propan-1-ol?
The InChIKey is FUCGKAUDRKTNHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O/c1-2-3-9-14-15-12-7-4-5-8-13(12)16(14)10-6-11-17/h4-5,7-8,17H,2-3,6,9-11H2,1H3.
What are the key properties of 3-(2-butylbenzimidazol-1-yl)propan-1-ol?
3-(2-butylbenzimidazol-1-yl)propan-1-ol has a molecular weight of 232.33 g/mol, XLogP of 2.76, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-butylbenzimidazol-1-yl)propan-1-ol is sourced from PubChem (CID 82149501), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).