N-(cyclopropylmethyl)-3,3,3-trifluoro-N-[[2-(trifluoromethyl)-4-(2,4,6-trimethylphenyl)imidazo[1,2-a]benzimidazol-1-yl]methyl]propan-1-amine

C27H28F6N4 — CID 20780074

IUPACN-(cyclopropylmethyl)-3,3,3-trifluoro-N-[[2-(trifluoromethyl)-4-(2,4,6-trimethylphenyl)imidazo[1,2-a]benzimidazol-1-yl]methyl]propan-1-amine
SMILESCc1cc(C)c(-n2c3ccccc3n3c(CN(CCC(F)(F)F)CC4CC4)c(C(F)(F)F)nc23)c(C)c1
InChIInChI=1S/C27H28F6N4/c1-16-12-17(2)23(18(3)13-16)37-21-7-5-4-6-20(21)36-22(24(27(31,32)33)34-25(36)37)15-35(14-19-8-9-19)11-10-26(28,29)30/h4-7,12-13,19H,8-11,14-15H2,1-3H3
InChIKeyIAPBVJCDTHIXQJ-UHFFFAOYSA-N
MW522.54 g/mol
LogP7.39
Rot. Bonds7

About N-(cyclopropylmethyl)-3,3,3-trifluoro-N-[[2-(trifluoromethyl)-4-(2,4,6-trimethylphenyl)imidazo[1,2-a]benzimidazol-1-yl]methyl]propan-1-amine

N-(cyclopropylmethyl)-3,3,3-trifluoro-N-[[2-(trifluoromethyl)-4-(2,4,6-trimethylphenyl)imidazo[1,2-a]benzimidazol-1-yl]methyl]propan-1-amine (PubChem CID 20780074) has the molecular formula C27H28F6N4 and a molecular weight of 522.54 g/mol. Its IUPAC name is N-(cyclopropylmethyl)-3,3,3-trifluoro-N-[[2-(trifluoromethyl)-4-(2,4,6-trimethylphenyl)imidazo[1,2-a]benzimidazol-1-yl]methyl]propan-1-amine.

Molecular Properties

Compound NameN-(cyclopropylmethyl)-3,3,3-trifluoro-N-[[2-(trifluoromethyl)-4-(2,4,6-trimethylphenyl)imidazo[1,2-a]benzimidazol-1-yl]methyl]propan-1-amine
PubChem CID20780074
Molecular FormulaC27H28F6N4
Molecular Weight522.54 g/mol
Exact Mass522.22
IUPAC NameN-(cyclopropylmethyl)-3,3,3-trifluoro-N-[[2-(trifluoromethyl)-4-(2,4,6-trimethylphenyl)imidazo[1,2-a]benzimidazol-1-yl]methyl]propan-1-amine
SMILESCc1cc(C)c(-n2c3ccccc3n3c(CN(CCC(F)(F)F)CC4CC4)c(C(F)(F)F)nc23)c(C)c1
InChIInChI=1S/C27H28F6N4/c1-16-12-17(2)23(18(3)13-16)37-21-7-5-4-6-20(21)36-22(24(27(31,32)33)34-25(36)37)15-35(14-19-8-9-19)11-10-26(28,29)30/h4-7,12-13,19H,8-11,14-15H2,1-3H3
InChIKeyIAPBVJCDTHIXQJ-UHFFFAOYSA-N
XLogP7.39
TPSA25.47 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms37
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500522.54
LogP ≤ 57.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze N-(cyclopropylmethyl)-3,3,3-trifluoro-N-[[2-(trifluoromethyl)-4-(2,4,6-trimethylphenyl)imidazo[1,2-a]benzimidazol-1-yl]methyl]propan-1-amine with MolForge

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Frequently Asked Questions

What is the IUPAC name of N-(cyclopropylmethyl)-3,3,3-trifluoro-N-[[2-(trifluoromethyl)-4-(2,4,6-trimethylphenyl)imidazo[1,2-a]benzimidazol-1-yl]methyl]propan-1-amine?
The IUPAC name of N-(cyclopropylmethyl)-3,3,3-trifluoro-N-[[2-(trifluoromethyl)-4-(2,4,6-trimethylphenyl)imidazo[1,2-a]benzimidazol-1-yl]methyl]propan-1-amine (CID 20780074) is N-(cyclopropylmethyl)-3,3,3-trifluoro-N-[[2-(trifluoromethyl)-4-(2,4,6-trimethylphenyl)imidazo[1,2-a]benzimidazol-1-yl]methyl]propan-1-amine.
What is the SMILES notation for N-(cyclopropylmethyl)-3,3,3-trifluoro-N-[[2-(trifluoromethyl)-4-(2,4,6-trimethylphenyl)imidazo[1,2-a]benzimidazol-1-yl]methyl]propan-1-amine?
The canonical SMILES for N-(cyclopropylmethyl)-3,3,3-trifluoro-N-[[2-(trifluoromethyl)-4-(2,4,6-trimethylphenyl)imidazo[1,2-a]benzimidazol-1-yl]methyl]propan-1-amine is Cc1cc(C)c(-n2c3ccccc3n3c(CN(CCC(F)(F)F)CC4CC4)c(C(F)(F)F)nc23)c(C)c1.
What is the InChIKey of N-(cyclopropylmethyl)-3,3,3-trifluoro-N-[[2-(trifluoromethyl)-4-(2,4,6-trimethylphenyl)imidazo[1,2-a]benzimidazol-1-yl]methyl]propan-1-amine?
The InChIKey is IAPBVJCDTHIXQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H28F6N4/c1-16-12-17(2)23(18(3)13-16)37-21-7-5-4-6-20(21)36-22(24(27(31,32)33)34-25(36)37)15-35(14-19-8-9-19)11-10-26(28,29)30/h4-7,12-13,19H,8-11,14-15H2,1-3H3.
What are the key properties of N-(cyclopropylmethyl)-3,3,3-trifluoro-N-[[2-(trifluoromethyl)-4-(2,4,6-trimethylphenyl)imidazo[1,2-a]benzimidazol-1-yl]methyl]propan-1-amine?
N-(cyclopropylmethyl)-3,3,3-trifluoro-N-[[2-(trifluoromethyl)-4-(2,4,6-trimethylphenyl)imidazo[1,2-a]benzimidazol-1-yl]methyl]propan-1-amine has a molecular weight of 522.54 g/mol, XLogP of 7.39, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(cyclopropylmethyl)-3,3,3-trifluoro-N-[[2-(trifluoromethyl)-4-(2,4,6-trimethylphenyl)imidazo[1,2-a]benzimidazol-1-yl]methyl]propan-1-amine is sourced from PubChem (CID 20780074), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).