1-(1-ethylbenzimidazol-2-yl)propan-2-ol

C12H16N2O — CID 79753828

IUPAC1-(1-ethylbenzimidazol-2-yl)propan-2-ol
SMILESCCn1c(CC(C)O)nc2ccccc21
InChIInChI=1S/C12H16N2O/c1-3-14-11-7-5-4-6-10(11)13-12(14)8-9(2)15/h4-7,9,15H,3,8H2,1-2H3
InChIKeyKLQLFVADXGAKSQ-UHFFFAOYSA-N
MW204.27 g/mol
LogP1.98
Rot. Bonds3

About 1-(1-ethylbenzimidazol-2-yl)propan-2-ol

1-(1-ethylbenzimidazol-2-yl)propan-2-ol (PubChem CID 79753828) has the molecular formula C12H16N2O and a molecular weight of 204.27 g/mol. Its IUPAC name is 1-(1-ethylbenzimidazol-2-yl)propan-2-ol.

Molecular Properties

Compound Name1-(1-ethylbenzimidazol-2-yl)propan-2-ol
PubChem CID79753828
Molecular FormulaC12H16N2O
Molecular Weight204.27 g/mol
Exact Mass204.13
IUPAC Name1-(1-ethylbenzimidazol-2-yl)propan-2-ol
SMILESCCn1c(CC(C)O)nc2ccccc21
InChIInChI=1S/C12H16N2O/c1-3-14-11-7-5-4-6-10(11)13-12(14)8-9(2)15/h4-7,9,15H,3,8H2,1-2H3
InChIKeyKLQLFVADXGAKSQ-UHFFFAOYSA-N
XLogP1.98
TPSA38.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.27
LogP ≤ 51.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1,1-diethoxy-3-(1-ethylbenzimidazol-2-yl)propan-2-ol
CID 79756098
6-(1-ethylbenzimidazol-2-yl)-2-methylhexan-3-ol
CID 79750581
4-(1-ethylbenzimidazol-2-yl)-2,3-dimethyl-N-propan-2-ylbutan-1-amine
CID 81011531
2-(1-ethylbenzimidazol-2-yl)-1-(4-fluorophenyl)ethanol
CID 79754584
2-(1-ethylbenzimidazol-2-yl)-1-(4-iodophenyl)ethanol
CID 115818620
3-ethyl-1-(1-ethylbenzimidazol-2-yl)-3-methoxypentan-2-ol
CID 116752874
1-(1-ethylbenzimidazol-2-yl)-4-methoxybutan-2-ol
CID 79754353
1-(1-ethylbenzimidazol-2-yl)-4-methoxy-4-methylpentan-2-ol
CID 103027615
3-methyl-1-(1-methylbenzimidazol-2-yl)butan-2-ol
CID 79753505
(2S)-1-(2-ethylbenzimidazol-1-yl)propan-2-ol
CID 51975802
N-ethyl-3-(1-ethylbenzimidazol-2-yl)-1,1-difluoropropan-2-amine
CID 103516859
2-(1-ethylbenzimidazol-2-yl)-1-(1-methylcyclohexyl)ethanol
CID 106830947

Frequently Asked Questions

What is the IUPAC name of 1-(1-ethylbenzimidazol-2-yl)propan-2-ol?
The IUPAC name of 1-(1-ethylbenzimidazol-2-yl)propan-2-ol (CID 79753828) is 1-(1-ethylbenzimidazol-2-yl)propan-2-ol.
What is the SMILES notation for 1-(1-ethylbenzimidazol-2-yl)propan-2-ol?
The canonical SMILES for 1-(1-ethylbenzimidazol-2-yl)propan-2-ol is CCn1c(CC(C)O)nc2ccccc21.
What is the InChIKey of 1-(1-ethylbenzimidazol-2-yl)propan-2-ol?
The InChIKey is KLQLFVADXGAKSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N2O/c1-3-14-11-7-5-4-6-10(11)13-12(14)8-9(2)15/h4-7,9,15H,3,8H2,1-2H3.
What are the key properties of 1-(1-ethylbenzimidazol-2-yl)propan-2-ol?
1-(1-ethylbenzimidazol-2-yl)propan-2-ol has a molecular weight of 204.27 g/mol, XLogP of 1.98, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-ethylbenzimidazol-2-yl)propan-2-ol is sourced from PubChem (CID 79753828), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).