3-(5,6-difluoro-2-propan-2-ylbenzimidazol-1-yl)propan-1-ol

C13H16F2N2O — CID 82149646

IUPAC3-(5,6-difluoro-2-propan-2-ylbenzimidazol-1-yl)propan-1-ol
SMILESCC(C)c1nc2cc(F)c(F)cc2n1CCCO
InChIInChI=1S/C13H16F2N2O/c1-8(2)13-16-11-6-9(14)10(15)7-12(11)17(13)4-3-5-18/h6-8,18H,3-5H2,1-2H3
InChIKeyZUWILSQQCXCHHB-UHFFFAOYSA-N
MW254.28 g/mol
LogP2.82
Rot. Bonds4

About 3-(5,6-difluoro-2-propan-2-ylbenzimidazol-1-yl)propan-1-ol

3-(5,6-difluoro-2-propan-2-ylbenzimidazol-1-yl)propan-1-ol (PubChem CID 82149646) has the molecular formula C13H16F2N2O and a molecular weight of 254.28 g/mol. Its IUPAC name is 3-(5,6-difluoro-2-propan-2-ylbenzimidazol-1-yl)propan-1-ol.

Molecular Properties

Compound Name3-(5,6-difluoro-2-propan-2-ylbenzimidazol-1-yl)propan-1-ol
PubChem CID82149646
Molecular FormulaC13H16F2N2O
Molecular Weight254.28 g/mol
Exact Mass254.12
IUPAC Name3-(5,6-difluoro-2-propan-2-ylbenzimidazol-1-yl)propan-1-ol
SMILESCC(C)c1nc2cc(F)c(F)cc2n1CCCO
InChIInChI=1S/C13H16F2N2O/c1-8(2)13-16-11-6-9(14)10(15)7-12(11)17(13)4-3-5-18/h6-8,18H,3-5H2,1-2H3
InChIKeyZUWILSQQCXCHHB-UHFFFAOYSA-N
XLogP2.82
TPSA38.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.28
LogP ≤ 52.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-ethyl-5,6-difluoro-2-propan-2-ylbenzimidazole
CID 147971744
2-(1-chloroethyl)-5,6-difluoro-1-(3-methoxypropyl)benzimidazole
CID 112752136
3-[5,6-difluoro-2-[(4-fluorophenyl)methyl]benzimidazol-1-yl]propan-1-ol
CID 94756244
3-[5-chloro-2-(1-hydroxyethyl)benzimidazol-1-yl]propan-1-ol
CID 46308438
2-(2-propan-2-yl-6,7-dihydro-[1,4]dioxino[2,3-f]benzimidazol-3-yl)ethanol
CID 82149428
2-(5,6-dimethyl-2-propan-2-ylbenzimidazol-1-yl)ethanamine
CID 82145095
3-(5,6-difluoro-2-pentan-3-ylbenzimidazol-1-yl)propanoic acid
CID 62803527
5-chloro-2-(1-chloroethyl)-6-fluoro-1-(4-methylpentyl)benzimidazole
CID 66109650
3-(2-propan-2-yl-6,7-dihydro-[1,4]dioxino[2,3-f]benzimidazol-3-yl)propan-1-amine
CID 82145837
3-[2-butan-2-yl-5-(trifluoromethyl)benzimidazol-1-yl]propan-1-ol
CID 46308378
3-(6-pentan-3-yl-[1,3]dioxolo[4,5-f]benzimidazol-7-yl)propan-1-ol
CID 82149592
3-[5,6-difluoro-2-(4-hydroxybutyl)benzimidazol-1-yl]propanoic acid
CID 79193832

Frequently Asked Questions

What is the IUPAC name of 3-(5,6-difluoro-2-propan-2-ylbenzimidazol-1-yl)propan-1-ol?
The IUPAC name of 3-(5,6-difluoro-2-propan-2-ylbenzimidazol-1-yl)propan-1-ol (CID 82149646) is 3-(5,6-difluoro-2-propan-2-ylbenzimidazol-1-yl)propan-1-ol.
What is the SMILES notation for 3-(5,6-difluoro-2-propan-2-ylbenzimidazol-1-yl)propan-1-ol?
The canonical SMILES for 3-(5,6-difluoro-2-propan-2-ylbenzimidazol-1-yl)propan-1-ol is CC(C)c1nc2cc(F)c(F)cc2n1CCCO.
What is the InChIKey of 3-(5,6-difluoro-2-propan-2-ylbenzimidazol-1-yl)propan-1-ol?
The InChIKey is ZUWILSQQCXCHHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16F2N2O/c1-8(2)13-16-11-6-9(14)10(15)7-12(11)17(13)4-3-5-18/h6-8,18H,3-5H2,1-2H3.
What are the key properties of 3-(5,6-difluoro-2-propan-2-ylbenzimidazol-1-yl)propan-1-ol?
3-(5,6-difluoro-2-propan-2-ylbenzimidazol-1-yl)propan-1-ol has a molecular weight of 254.28 g/mol, XLogP of 2.82, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(5,6-difluoro-2-propan-2-ylbenzimidazol-1-yl)propan-1-ol is sourced from PubChem (CID 82149646), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).