5-[[2-[4-methyl-3-(trifluoromethyl)anilino]cyclopropyl]amino]-1,3-dihydrobenzimidazol-2-one

C18H17F3N4O — CID 155113995

IUPAC5-[[2-[4-methyl-3-(trifluoromethyl)anilino]cyclopropyl]amino]-1,3-dihydrobenzimidazol-2-one
SMILESCc1ccc(NC2CC2Nc2ccc3[nH]c(=O)[nH]c3c2)cc1C(F)(F)F
InChIInChI=1S/C18H17F3N4O/c1-9-2-3-10(6-12(9)18(19,20)21)22-15-8-16(15)23-11-4-5-13-14(7-11)25-17(26)24-13/h2-7,15-16,22-23H,8H2,1H3,(H2,24,25,26)
InChIKeyUEEVIZLMMMWESM-UHFFFAOYSA-N
MW362.36 g/mol
LogP3.85
Rot. Bonds4

About 5-[[2-[4-methyl-3-(trifluoromethyl)anilino]cyclopropyl]amino]-1,3-dihydrobenzimidazol-2-one

5-[[2-[4-methyl-3-(trifluoromethyl)anilino]cyclopropyl]amino]-1,3-dihydrobenzimidazol-2-one (PubChem CID 155113995) has the molecular formula C18H17F3N4O and a molecular weight of 362.36 g/mol. Its IUPAC name is 5-[[2-[4-methyl-3-(trifluoromethyl)anilino]cyclopropyl]amino]-1,3-dihydrobenzimidazol-2-one.

Molecular Properties

Compound Name5-[[2-[4-methyl-3-(trifluoromethyl)anilino]cyclopropyl]amino]-1,3-dihydrobenzimidazol-2-one
PubChem CID155113995
Molecular FormulaC18H17F3N4O
Molecular Weight362.36 g/mol
Exact Mass362.14
IUPAC Name5-[[2-[4-methyl-3-(trifluoromethyl)anilino]cyclopropyl]amino]-1,3-dihydrobenzimidazol-2-one
SMILESCc1ccc(NC2CC2Nc2ccc3[nH]c(=O)[nH]c3c2)cc1C(F)(F)F
InChIInChI=1S/C18H17F3N4O/c1-9-2-3-10(6-12(9)18(19,20)21)22-15-8-16(15)23-11-4-5-13-14(7-11)25-17(26)24-13/h2-7,15-16,22-23H,8H2,1H3,(H2,24,25,26)
InChIKeyUEEVIZLMMMWESM-UHFFFAOYSA-N
XLogP3.85
TPSA72.71 Ų
H-Bond Donors4
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.36
LogP ≤ 53.85
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 103

Analyze 5-[[2-[4-methyl-3-(trifluoromethyl)anilino]cyclopropyl]amino]-1,3-dihydrobenzimidazol-2-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 5-[[2-[4-methyl-3-(trifluoromethyl)anilino]cyclopropyl]amino]-1,3-dihydrobenzimidazol-2-one?
The IUPAC name of 5-[[2-[4-methyl-3-(trifluoromethyl)anilino]cyclopropyl]amino]-1,3-dihydrobenzimidazol-2-one (CID 155113995) is 5-[[2-[4-methyl-3-(trifluoromethyl)anilino]cyclopropyl]amino]-1,3-dihydrobenzimidazol-2-one.
What is the SMILES notation for 5-[[2-[4-methyl-3-(trifluoromethyl)anilino]cyclopropyl]amino]-1,3-dihydrobenzimidazol-2-one?
The canonical SMILES for 5-[[2-[4-methyl-3-(trifluoromethyl)anilino]cyclopropyl]amino]-1,3-dihydrobenzimidazol-2-one is Cc1ccc(NC2CC2Nc2ccc3[nH]c(=O)[nH]c3c2)cc1C(F)(F)F.
What is the InChIKey of 5-[[2-[4-methyl-3-(trifluoromethyl)anilino]cyclopropyl]amino]-1,3-dihydrobenzimidazol-2-one?
The InChIKey is UEEVIZLMMMWESM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17F3N4O/c1-9-2-3-10(6-12(9)18(19,20)21)22-15-8-16(15)23-11-4-5-13-14(7-11)25-17(26)24-13/h2-7,15-16,22-23H,8H2,1H3,(H2,24,25,26).
What are the key properties of 5-[[2-[4-methyl-3-(trifluoromethyl)anilino]cyclopropyl]amino]-1,3-dihydrobenzimidazol-2-one?
5-[[2-[4-methyl-3-(trifluoromethyl)anilino]cyclopropyl]amino]-1,3-dihydrobenzimidazol-2-one has a molecular weight of 362.36 g/mol, XLogP of 3.85, 4 rotatable bonds, 4 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[2-[4-methyl-3-(trifluoromethyl)anilino]cyclopropyl]amino]-1,3-dihydrobenzimidazol-2-one is sourced from PubChem (CID 155113995), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).