2-[4-[6-chloro-2-ethyl-5-(trifluoromethyl)benzimidazol-1-yl]phenyl]propan-1-ol

C19H18ClF3N2O — CID 21300435

IUPAC2-[4-[6-chloro-2-ethyl-5-(trifluoromethyl)benzimidazol-1-yl]phenyl]propan-1-ol
SMILESCCc1nc2cc(C(F)(F)F)c(Cl)cc2n1-c1ccc(C(C)CO)cc1
InChIInChI=1S/C19H18ClF3N2O/c1-3-18-24-16-8-14(19(21,22)23)15(20)9-17(16)25(18)13-6-4-12(5-7-13)11(2)10-26/h4-9,11,26H,3,10H2,1-2H3
InChIKeyMSNQQXDLZLDMNK-UHFFFAOYSA-N
MW382.81 g/mol
LogP5.36
Rot. Bonds4

About 2-[4-[6-chloro-2-ethyl-5-(trifluoromethyl)benzimidazol-1-yl]phenyl]propan-1-ol

2-[4-[6-chloro-2-ethyl-5-(trifluoromethyl)benzimidazol-1-yl]phenyl]propan-1-ol (PubChem CID 21300435) has the molecular formula C19H18ClF3N2O and a molecular weight of 382.81 g/mol. Its IUPAC name is 2-[4-[6-chloro-2-ethyl-5-(trifluoromethyl)benzimidazol-1-yl]phenyl]propan-1-ol.

Molecular Properties

Compound Name2-[4-[6-chloro-2-ethyl-5-(trifluoromethyl)benzimidazol-1-yl]phenyl]propan-1-ol
PubChem CID21300435
Molecular FormulaC19H18ClF3N2O
Molecular Weight382.81 g/mol
Exact Mass382.11
IUPAC Name2-[4-[6-chloro-2-ethyl-5-(trifluoromethyl)benzimidazol-1-yl]phenyl]propan-1-ol
SMILESCCc1nc2cc(C(F)(F)F)c(Cl)cc2n1-c1ccc(C(C)CO)cc1
InChIInChI=1S/C19H18ClF3N2O/c1-3-18-24-16-8-14(19(21,22)23)15(20)9-17(16)25(18)13-6-4-12(5-7-13)11(2)10-26/h4-9,11,26H,3,10H2,1-2H3
InChIKeyMSNQQXDLZLDMNK-UHFFFAOYSA-N
XLogP5.36
TPSA38.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500382.81
LogP ≤ 55.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[4-[6-chloro-2-ethyl-5-(trifluoromethyl)benzimidazol-1-yl]phenyl]propan-1-ol?
The IUPAC name of 2-[4-[6-chloro-2-ethyl-5-(trifluoromethyl)benzimidazol-1-yl]phenyl]propan-1-ol (CID 21300435) is 2-[4-[6-chloro-2-ethyl-5-(trifluoromethyl)benzimidazol-1-yl]phenyl]propan-1-ol.
What is the SMILES notation for 2-[4-[6-chloro-2-ethyl-5-(trifluoromethyl)benzimidazol-1-yl]phenyl]propan-1-ol?
The canonical SMILES for 2-[4-[6-chloro-2-ethyl-5-(trifluoromethyl)benzimidazol-1-yl]phenyl]propan-1-ol is CCc1nc2cc(C(F)(F)F)c(Cl)cc2n1-c1ccc(C(C)CO)cc1.
What is the InChIKey of 2-[4-[6-chloro-2-ethyl-5-(trifluoromethyl)benzimidazol-1-yl]phenyl]propan-1-ol?
The InChIKey is MSNQQXDLZLDMNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18ClF3N2O/c1-3-18-24-16-8-14(19(21,22)23)15(20)9-17(16)25(18)13-6-4-12(5-7-13)11(2)10-26/h4-9,11,26H,3,10H2,1-2H3.
What are the key properties of 2-[4-[6-chloro-2-ethyl-5-(trifluoromethyl)benzimidazol-1-yl]phenyl]propan-1-ol?
2-[4-[6-chloro-2-ethyl-5-(trifluoromethyl)benzimidazol-1-yl]phenyl]propan-1-ol has a molecular weight of 382.81 g/mol, XLogP of 5.36, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[6-chloro-2-ethyl-5-(trifluoromethyl)benzimidazol-1-yl]phenyl]propan-1-ol is sourced from PubChem (CID 21300435), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).