1-(2-propylbenzimidazol-1-yl)butan-2-ol

C14H20N2O — CID 112632256

IUPAC1-(2-propylbenzimidazol-1-yl)butan-2-ol
SMILESCCCc1nc2ccccc2n1CC(O)CC
InChIInChI=1S/C14H20N2O/c1-3-7-14-15-12-8-5-6-9-13(12)16(14)10-11(17)4-2/h5-6,8-9,11,17H,3-4,7,10H2,1-2H3
InChIKeyMLIKOTCJSSIMON-UHFFFAOYSA-N
MW232.33 g/mol
LogP2.76
Rot. Bonds5

About 1-(2-propylbenzimidazol-1-yl)butan-2-ol

1-(2-propylbenzimidazol-1-yl)butan-2-ol (PubChem CID 112632256) has the molecular formula C14H20N2O and a molecular weight of 232.33 g/mol. Its IUPAC name is 1-(2-propylbenzimidazol-1-yl)butan-2-ol.

Molecular Properties

Compound Name1-(2-propylbenzimidazol-1-yl)butan-2-ol
PubChem CID112632256
Molecular FormulaC14H20N2O
Molecular Weight232.33 g/mol
Exact Mass232.16
IUPAC Name1-(2-propylbenzimidazol-1-yl)butan-2-ol
SMILESCCCc1nc2ccccc2n1CC(O)CC
InChIInChI=1S/C14H20N2O/c1-3-7-14-15-12-8-5-6-9-13(12)16(14)10-11(17)4-2/h5-6,8-9,11,17H,3-4,7,10H2,1-2H3
InChIKeyMLIKOTCJSSIMON-UHFFFAOYSA-N
XLogP2.76
TPSA38.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
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

1-methoxy-3-(2-propylbenzimidazol-1-yl)propan-2-ol
CID 112568352
2-[1-(2-hydroxybutyl)benzimidazol-2-yl]acetonitrile
CID 63638431
1-morpholin-4-yl-3-(2-propylbenzimidazol-1-yl)propan-2-ol
CID 110879081
3,3-dimethyl-1-(2-propylbenzimidazol-1-yl)butan-2-amine
CID 112632168
3-methyl-2-[(2-propylbenzimidazol-1-yl)methyl]butane-1-thiol
CID 112632540
2-(propylamino)-3-(2-propylbenzimidazol-1-yl)propan-1-ol
CID 115971237
4-[(2R)-2-hydroxy-3-(2-propylbenzimidazol-1-yl)propoxy]benzoate
CID 7029928
3-methyl-1-(2-propylbenzimidazol-1-yl)pentan-2-one
CID 112632250
methyl 2-(ethylamino)-3-(2-propylbenzimidazol-1-yl)propanoate
CID 115970954
N-propyl-1-(2-propylbenzimidazol-1-yl)pentan-2-amine
CID 115970703
1-benzyl-2-propylbenzimidazole
CID 764560
(2S)-1-(2-ethylbenzimidazol-1-yl)propan-2-ol
CID 51975802

Frequently Asked Questions

What is the IUPAC name of 1-(2-propylbenzimidazol-1-yl)butan-2-ol?
The IUPAC name of 1-(2-propylbenzimidazol-1-yl)butan-2-ol (CID 112632256) is 1-(2-propylbenzimidazol-1-yl)butan-2-ol.
What is the SMILES notation for 1-(2-propylbenzimidazol-1-yl)butan-2-ol?
The canonical SMILES for 1-(2-propylbenzimidazol-1-yl)butan-2-ol is CCCc1nc2ccccc2n1CC(O)CC.
What is the InChIKey of 1-(2-propylbenzimidazol-1-yl)butan-2-ol?
The InChIKey is MLIKOTCJSSIMON-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O/c1-3-7-14-15-12-8-5-6-9-13(12)16(14)10-11(17)4-2/h5-6,8-9,11,17H,3-4,7,10H2,1-2H3.
What are the key properties of 1-(2-propylbenzimidazol-1-yl)butan-2-ol?
1-(2-propylbenzimidazol-1-yl)butan-2-ol has a molecular weight of 232.33 g/mol, XLogP of 2.76, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-propylbenzimidazol-1-yl)butan-2-ol is sourced from PubChem (CID 112632256), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).