3-(4,6-difluoro-1H-benzimidazol-2-yl)propan-1-ol

C10H10F2N2O — CID 81463474

IUPAC3-(4,6-difluoro-1H-benzimidazol-2-yl)propan-1-ol
SMILESOCCCc1nc2c(F)cc(F)cc2[nH]1
InChIInChI=1S/C10H10F2N2O/c11-6-4-7(12)10-8(5-6)13-9(14-10)2-1-3-15/h4-5,15H,1-3H2,(H,13,14)
InChIKeyBJZRXGNYLKDYFD-UHFFFAOYSA-N
MW212.20 g/mol
LogP1.77
Rot. Bonds3

About 3-(4,6-difluoro-1H-benzimidazol-2-yl)propan-1-ol

3-(4,6-difluoro-1H-benzimidazol-2-yl)propan-1-ol (PubChem CID 81463474) has the molecular formula C10H10F2N2O and a molecular weight of 212.20 g/mol. Its IUPAC name is 3-(4,6-difluoro-1H-benzimidazol-2-yl)propan-1-ol.

Molecular Properties

Compound Name3-(4,6-difluoro-1H-benzimidazol-2-yl)propan-1-ol
PubChem CID81463474
Molecular FormulaC10H10F2N2O
Molecular Weight212.20 g/mol
Exact Mass212.08
IUPAC Name3-(4,6-difluoro-1H-benzimidazol-2-yl)propan-1-ol
SMILESOCCCc1nc2c(F)cc(F)cc2[nH]1
InChIInChI=1S/C10H10F2N2O/c11-6-4-7(12)10-8(5-6)13-9(14-10)2-1-3-15/h4-5,15H,1-3H2,(H,13,14)
InChIKeyBJZRXGNYLKDYFD-UHFFFAOYSA-N
XLogP1.77
TPSA48.91 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.20
LogP ≤ 51.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-[2-(4,6-difluoro-1H-benzimidazol-2-yl)ethyl]propan-2-amine
CID 81449443
4-[3-(4,6-difluoro-1H-benzimidazol-2-yl)propyl]-1,3-thiazol-2-amine
CID 81449227
2-[(4,6-difluoro-1H-benzimidazol-2-yl)methylsulfanyl]acetic acid
CID 104570612
4,6-difluoro-2-(2,2,2-trifluoroethoxymethyl)-1H-benzimidazole
CID 103208892
4,6-difluoro-2-[2-(oxan-2-yl)ethyl]-1H-benzimidazole
CID 81462840
4,6-difluoro-2-(2-piperidin-3-ylethyl)-1H-benzimidazole
CID 81448869
4,6-difluoro-2-iodo-1H-benzimidazole
CID 143699120
4,6-difluoro-2-(3-methoxy-2-methylpropyl)-1H-benzimidazole
CID 81463285
2-(1,4-diazepan-1-ylmethyl)-4,6-difluoro-1H-benzimidazole
CID 81449105
3-(6-bromo-1H-benzimidazol-2-yl)propan-1-ol
CID 4162826
3-(6-amino-1H-benzimidazol-2-yl)propan-1-ol
CID 3096134
3-(4-amino-8-fluoro-7-methyl-3H-imidazo[4,5-c]quinolin-2-yl)propan-1-ol
CID 138607534

Frequently Asked Questions

What is the IUPAC name of 3-(4,6-difluoro-1H-benzimidazol-2-yl)propan-1-ol?
The IUPAC name of 3-(4,6-difluoro-1H-benzimidazol-2-yl)propan-1-ol (CID 81463474) is 3-(4,6-difluoro-1H-benzimidazol-2-yl)propan-1-ol.
What is the SMILES notation for 3-(4,6-difluoro-1H-benzimidazol-2-yl)propan-1-ol?
The canonical SMILES for 3-(4,6-difluoro-1H-benzimidazol-2-yl)propan-1-ol is OCCCc1nc2c(F)cc(F)cc2[nH]1.
What is the InChIKey of 3-(4,6-difluoro-1H-benzimidazol-2-yl)propan-1-ol?
The InChIKey is BJZRXGNYLKDYFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10F2N2O/c11-6-4-7(12)10-8(5-6)13-9(14-10)2-1-3-15/h4-5,15H,1-3H2,(H,13,14).
What are the key properties of 3-(4,6-difluoro-1H-benzimidazol-2-yl)propan-1-ol?
3-(4,6-difluoro-1H-benzimidazol-2-yl)propan-1-ol has a molecular weight of 212.20 g/mol, XLogP of 1.77, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4,6-difluoro-1H-benzimidazol-2-yl)propan-1-ol is sourced from PubChem (CID 81463474), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).