3-(5-chloro-1-propylbenzimidazol-2-yl)-1,1,1-trifluoropropan-2-ol

C13H14ClF3N2O — CID 79873183

IUPAC3-(5-chloro-1-propylbenzimidazol-2-yl)-1,1,1-trifluoropropan-2-ol
SMILESCCCn1c(CC(O)C(F)(F)F)nc2cc(Cl)ccc21
InChIInChI=1S/C13H14ClF3N2O/c1-2-5-19-10-4-3-8(14)6-9(10)18-12(19)7-11(20)13(15,16)17/h3-4,6,11,20H,2,5,7H2,1H3
InChIKeyHLDWQQQJZPRZEW-UHFFFAOYSA-N
MW306.72 g/mol
LogP3.57
Rot. Bonds4

About 3-(5-chloro-1-propylbenzimidazol-2-yl)-1,1,1-trifluoropropan-2-ol

3-(5-chloro-1-propylbenzimidazol-2-yl)-1,1,1-trifluoropropan-2-ol (PubChem CID 79873183) has the molecular formula C13H14ClF3N2O and a molecular weight of 306.72 g/mol. Its IUPAC name is 3-(5-chloro-1-propylbenzimidazol-2-yl)-1,1,1-trifluoropropan-2-ol.

Molecular Properties

Compound Name3-(5-chloro-1-propylbenzimidazol-2-yl)-1,1,1-trifluoropropan-2-ol
PubChem CID79873183
Molecular FormulaC13H14ClF3N2O
Molecular Weight306.72 g/mol
Exact Mass306.07
IUPAC Name3-(5-chloro-1-propylbenzimidazol-2-yl)-1,1,1-trifluoropropan-2-ol
SMILESCCCn1c(CC(O)C(F)(F)F)nc2cc(Cl)ccc21
InChIInChI=1S/C13H14ClF3N2O/c1-2-5-19-10-4-3-8(14)6-9(10)18-12(19)7-11(20)13(15,16)17/h3-4,6,11,20H,2,5,7H2,1H3
InChIKeyHLDWQQQJZPRZEW-UHFFFAOYSA-N
XLogP3.57
TPSA38.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.72
LogP ≤ 53.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-(5-chloro-1-methylbenzimidazol-2-yl)-1,1,1-trifluoropropan-2-ol
CID 79872192
5-chloro-2-ethyl-1-propylbenzimidazole
CID 46310723
5-chloro-2-methyl-1-propylbenzimidazole
CID 46310722
3-[(5-chloro-1-propylbenzimidazol-2-yl)methyl]phenol
CID 61400386
2-butan-2-yl-5-chloro-1-propylbenzimidazole
CID 46310727
1,1,1-trifluoro-3-(5-fluoro-1-propan-2-ylbenzimidazol-2-yl)propan-2-ol
CID 79872459
5-chloro-2-(piperazin-1-ylmethyl)-1-propylbenzimidazole
CID 62316362
5-chloro-2-(chloromethyl)-1-octylbenzimidazole
CID 115569202
5-chloro-2-(piperidin-4-ylmethyl)-1-propylbenzimidazole
CID 79615143
6-chloro-2-ethyl-1-propylbenzimidazole
CID 46310724
1,1,1-trifluoro-3-(5-fluoro-1-propylbenzimidazol-2-yl)propan-2-one
CID 79872999
5-chloro-1-propyl-2-(pyrrolidin-2-ylmethyl)benzimidazole
CID 61372509

Frequently Asked Questions

What is the IUPAC name of 3-(5-chloro-1-propylbenzimidazol-2-yl)-1,1,1-trifluoropropan-2-ol?
The IUPAC name of 3-(5-chloro-1-propylbenzimidazol-2-yl)-1,1,1-trifluoropropan-2-ol (CID 79873183) is 3-(5-chloro-1-propylbenzimidazol-2-yl)-1,1,1-trifluoropropan-2-ol.
What is the SMILES notation for 3-(5-chloro-1-propylbenzimidazol-2-yl)-1,1,1-trifluoropropan-2-ol?
The canonical SMILES for 3-(5-chloro-1-propylbenzimidazol-2-yl)-1,1,1-trifluoropropan-2-ol is CCCn1c(CC(O)C(F)(F)F)nc2cc(Cl)ccc21.
What is the InChIKey of 3-(5-chloro-1-propylbenzimidazol-2-yl)-1,1,1-trifluoropropan-2-ol?
The InChIKey is HLDWQQQJZPRZEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14ClF3N2O/c1-2-5-19-10-4-3-8(14)6-9(10)18-12(19)7-11(20)13(15,16)17/h3-4,6,11,20H,2,5,7H2,1H3.
What are the key properties of 3-(5-chloro-1-propylbenzimidazol-2-yl)-1,1,1-trifluoropropan-2-ol?
3-(5-chloro-1-propylbenzimidazol-2-yl)-1,1,1-trifluoropropan-2-ol has a molecular weight of 306.72 g/mol, XLogP of 3.57, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(5-chloro-1-propylbenzimidazol-2-yl)-1,1,1-trifluoropropan-2-ol is sourced from PubChem (CID 79873183), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).