1-(2-methylbenzimidazol-1-yl)-3-[2-(trifluoromethyl)benzimidazol-1-yl]propan-2-ol

C19H17F3N4O — CID 3243912

IUPAC1-(2-methylbenzimidazol-1-yl)-3-[2-(trifluoromethyl)benzimidazol-1-yl]propan-2-ol
SMILESCc1nc2ccccc2n1CC(O)Cn1c(C(F)(F)F)nc2ccccc21
InChIInChI=1S/C19H17F3N4O/c1-12-23-14-6-2-4-8-16(14)25(12)10-13(27)11-26-17-9-5-3-7-15(17)24-18(26)19(20,21)22/h2-9,13,27H,10-11H2,1H3
InChIKeyMMOUCXVOYKZSPD-UHFFFAOYSA-N
MW374.37 g/mol
LogP3.77
Rot. Bonds4

About 1-(2-methylbenzimidazol-1-yl)-3-[2-(trifluoromethyl)benzimidazol-1-yl]propan-2-ol

1-(2-methylbenzimidazol-1-yl)-3-[2-(trifluoromethyl)benzimidazol-1-yl]propan-2-ol (PubChem CID 3243912) has the molecular formula C19H17F3N4O and a molecular weight of 374.37 g/mol. Its IUPAC name is 1-(2-methylbenzimidazol-1-yl)-3-[2-(trifluoromethyl)benzimidazol-1-yl]propan-2-ol.

Molecular Properties

Compound Name1-(2-methylbenzimidazol-1-yl)-3-[2-(trifluoromethyl)benzimidazol-1-yl]propan-2-ol
PubChem CID3243912
Molecular FormulaC19H17F3N4O
Molecular Weight374.37 g/mol
Exact Mass374.14
IUPAC Name1-(2-methylbenzimidazol-1-yl)-3-[2-(trifluoromethyl)benzimidazol-1-yl]propan-2-ol
SMILESCc1nc2ccccc2n1CC(O)Cn1c(C(F)(F)F)nc2ccccc21
InChIInChI=1S/C19H17F3N4O/c1-12-23-14-6-2-4-8-16(14)25(12)10-13(27)11-26-17-9-5-3-7-15(17)24-18(26)19(20,21)22/h2-9,13,27H,10-11H2,1H3
InChIKeyMMOUCXVOYKZSPD-UHFFFAOYSA-N
XLogP3.77
TPSA55.87 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.37
LogP ≤ 53.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-(2-methylbenzimidazol-1-yl)-3-[2-(trifluoromethyl)benzimidazol-1-yl]propan-2-ol?
The IUPAC name of 1-(2-methylbenzimidazol-1-yl)-3-[2-(trifluoromethyl)benzimidazol-1-yl]propan-2-ol (CID 3243912) is 1-(2-methylbenzimidazol-1-yl)-3-[2-(trifluoromethyl)benzimidazol-1-yl]propan-2-ol.
What is the SMILES notation for 1-(2-methylbenzimidazol-1-yl)-3-[2-(trifluoromethyl)benzimidazol-1-yl]propan-2-ol?
The canonical SMILES for 1-(2-methylbenzimidazol-1-yl)-3-[2-(trifluoromethyl)benzimidazol-1-yl]propan-2-ol is Cc1nc2ccccc2n1CC(O)Cn1c(C(F)(F)F)nc2ccccc21.
What is the InChIKey of 1-(2-methylbenzimidazol-1-yl)-3-[2-(trifluoromethyl)benzimidazol-1-yl]propan-2-ol?
The InChIKey is MMOUCXVOYKZSPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17F3N4O/c1-12-23-14-6-2-4-8-16(14)25(12)10-13(27)11-26-17-9-5-3-7-15(17)24-18(26)19(20,21)22/h2-9,13,27H,10-11H2,1H3.
What are the key properties of 1-(2-methylbenzimidazol-1-yl)-3-[2-(trifluoromethyl)benzimidazol-1-yl]propan-2-ol?
1-(2-methylbenzimidazol-1-yl)-3-[2-(trifluoromethyl)benzimidazol-1-yl]propan-2-ol has a molecular weight of 374.37 g/mol, XLogP of 3.77, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methylbenzimidazol-1-yl)-3-[2-(trifluoromethyl)benzimidazol-1-yl]propan-2-ol is sourced from PubChem (CID 3243912), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).