4-chloro-3-(5-fluoro-1-propylbenzimidazol-2-yl)phenol

C16H14ClFN2O — CID 106502308

IUPAC4-chloro-3-(5-fluoro-1-propylbenzimidazol-2-yl)phenol
SMILESCCCn1c(-c2cc(O)ccc2Cl)nc2cc(F)ccc21
InChIInChI=1S/C16H14ClFN2O/c1-2-7-20-15-6-3-10(18)8-14(15)19-16(20)12-9-11(21)4-5-13(12)17/h3-6,8-9,21H,2,7H2,1H3
InChIKeyKXEDLRSDMNCHBW-UHFFFAOYSA-N
MW304.75 g/mol
LogP4.61
Rot. Bonds3

About 4-chloro-3-(5-fluoro-1-propylbenzimidazol-2-yl)phenol

4-chloro-3-(5-fluoro-1-propylbenzimidazol-2-yl)phenol (PubChem CID 106502308) has the molecular formula C16H14ClFN2O and a molecular weight of 304.75 g/mol. Its IUPAC name is 4-chloro-3-(5-fluoro-1-propylbenzimidazol-2-yl)phenol.

Molecular Properties

Compound Name4-chloro-3-(5-fluoro-1-propylbenzimidazol-2-yl)phenol
PubChem CID106502308
Molecular FormulaC16H14ClFN2O
Molecular Weight304.75 g/mol
Exact Mass304.08
IUPAC Name4-chloro-3-(5-fluoro-1-propylbenzimidazol-2-yl)phenol
SMILESCCCn1c(-c2cc(O)ccc2Cl)nc2cc(F)ccc21
InChIInChI=1S/C16H14ClFN2O/c1-2-7-20-15-6-3-10(18)8-14(15)19-16(20)12-9-11(21)4-5-13(12)17/h3-6,8-9,21H,2,7H2,1H3
InChIKeyKXEDLRSDMNCHBW-UHFFFAOYSA-N
XLogP4.61
TPSA38.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.75
LogP ≤ 54.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(5-fluoro-1-propylbenzimidazol-2-yl)benzene-1,4-diol
CID 136903731
2-(1-ethyl-5-fluorobenzimidazol-2-yl)benzene-1,4-diol
CID 136903729
5-(5-fluoro-1-propylbenzimidazol-2-yl)benzene-1,3-diamine
CID 107811482
4-chloro-3-(6-fluoro-1-propan-2-ylbenzimidazol-2-yl)phenol
CID 106502342
2-(2-chlorophenyl)-1-propylbenzimidazole
CID 4637054
3-(6-fluoro-1-propylbenzimidazol-2-yl)benzene-1,2-diol
CID 136928272
5-(5-fluoro-1-propylbenzimidazol-2-yl)-2-methylaniline
CID 60784700
5-(5-fluoro-1-propylbenzimidazol-2-yl)pyridin-2-amine
CID 63262376
3-(5-chloro-1-propylbenzimidazol-2-yl)-2-methylphenol
CID 82810464
ethyl 5-fluoro-1-propylbenzimidazole-2-carboxylate
CID 55189985
2-[(5-fluoro-1-propylbenzimidazol-2-yl)methyl]phenol
CID 80723234
2-amino-1-propylbenzimidazol-5-ol
CID 84771922

Frequently Asked Questions

What is the IUPAC name of 4-chloro-3-(5-fluoro-1-propylbenzimidazol-2-yl)phenol?
The IUPAC name of 4-chloro-3-(5-fluoro-1-propylbenzimidazol-2-yl)phenol (CID 106502308) is 4-chloro-3-(5-fluoro-1-propylbenzimidazol-2-yl)phenol.
What is the SMILES notation for 4-chloro-3-(5-fluoro-1-propylbenzimidazol-2-yl)phenol?
The canonical SMILES for 4-chloro-3-(5-fluoro-1-propylbenzimidazol-2-yl)phenol is CCCn1c(-c2cc(O)ccc2Cl)nc2cc(F)ccc21.
What is the InChIKey of 4-chloro-3-(5-fluoro-1-propylbenzimidazol-2-yl)phenol?
The InChIKey is KXEDLRSDMNCHBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14ClFN2O/c1-2-7-20-15-6-3-10(18)8-14(15)19-16(20)12-9-11(21)4-5-13(12)17/h3-6,8-9,21H,2,7H2,1H3.
What are the key properties of 4-chloro-3-(5-fluoro-1-propylbenzimidazol-2-yl)phenol?
4-chloro-3-(5-fluoro-1-propylbenzimidazol-2-yl)phenol has a molecular weight of 304.75 g/mol, XLogP of 4.61, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-3-(5-fluoro-1-propylbenzimidazol-2-yl)phenol is sourced from PubChem (CID 106502308), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).