N-[[3-[(1,5-dimethyl-6-morpholin-4-ylbenzimidazol-2-yl)amino]-4-methylphenyl]methyl]-1-(trifluoromethyl)cyclopropane-1-carboxamide

C26H30F3N5O2 — CID 163975370

IUPACN-[[3-[(1,5-dimethyl-6-morpholin-4-ylbenzimidazol-2-yl)amino]-4-methylphenyl]methyl]-1-(trifluoromethyl)cyclopropane-1-carboxamide
SMILESCc1ccc(CNC(=O)C2(C(F)(F)F)CC2)cc1Nc1nc2cc(C)c(N3CCOCC3)cc2n1C
InChIInChI=1S/C26H30F3N5O2/c1-16-4-5-18(15-30-23(35)25(6-7-25)26(27,28)29)13-19(16)31-24-32-20-12-17(2)21(14-22(20)33(24)3)34-8-10-36-11-9-34/h4-5,12-14H,6-11,15H2,1-3H3,(H,30,35)(H,31,32)
InChIKeySTQCFHLQKFDRMS-UHFFFAOYSA-N
MW501.55 g/mol
LogP4.73
Rot. Bonds6

About N-[[3-[(1,5-dimethyl-6-morpholin-4-ylbenzimidazol-2-yl)amino]-4-methylphenyl]methyl]-1-(trifluoromethyl)cyclopropane-1-carboxamide

N-[[3-[(1,5-dimethyl-6-morpholin-4-ylbenzimidazol-2-yl)amino]-4-methylphenyl]methyl]-1-(trifluoromethyl)cyclopropane-1-carboxamide (PubChem CID 163975370) has the molecular formula C26H30F3N5O2 and a molecular weight of 501.55 g/mol. Its IUPAC name is N-[[3-[(1,5-dimethyl-6-morpholin-4-ylbenzimidazol-2-yl)amino]-4-methylphenyl]methyl]-1-(trifluoromethyl)cyclopropane-1-carboxamide.

Molecular Properties

Compound NameN-[[3-[(1,5-dimethyl-6-morpholin-4-ylbenzimidazol-2-yl)amino]-4-methylphenyl]methyl]-1-(trifluoromethyl)cyclopropane-1-carboxamide
PubChem CID163975370
Molecular FormulaC26H30F3N5O2
Molecular Weight501.55 g/mol
Exact Mass501.24
IUPAC NameN-[[3-[(1,5-dimethyl-6-morpholin-4-ylbenzimidazol-2-yl)amino]-4-methylphenyl]methyl]-1-(trifluoromethyl)cyclopropane-1-carboxamide
SMILESCc1ccc(CNC(=O)C2(C(F)(F)F)CC2)cc1Nc1nc2cc(C)c(N3CCOCC3)cc2n1C
InChIInChI=1S/C26H30F3N5O2/c1-16-4-5-18(15-30-23(35)25(6-7-25)26(27,28)29)13-19(16)31-24-32-20-12-17(2)21(14-22(20)33(24)3)34-8-10-36-11-9-34/h4-5,12-14H,6-11,15H2,1-3H3,(H,30,35)(H,31,32)
InChIKeySTQCFHLQKFDRMS-UHFFFAOYSA-N
XLogP4.73
TPSA71.42 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500501.55
LogP ≤ 54.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-[[4-chloro-3-[(6-chloro-5-morpholin-4-yl-1H-benzimidazol-2-yl)amino]phenyl]methyl]-1-(trifluoromethyl)cyclopropane-1-carboxamide
CID 67975149
N-[[4-chloro-3-[[5-chloro-6-(4-ethylpiperazin-1-yl)-1-methylbenzimidazol-2-yl]methyl]phenyl]methyl]-1-(trifluoromethyl)cyclopropane-1-carboxamide
CID 146838889
N-[[4-chloro-3-[[5-chloro-6-[4-(4-fluorophenyl)piperidin-1-yl]-1-methylbenzimidazol-2-yl]methyl]phenyl]methyl]-1-(trifluoromethyl)cyclopropane-1-carboxamide
CID 148594219
2-[2-chloro-5-[[[1-(trifluoromethyl)cyclopropanecarbonyl]amino]methyl]anilino]-N-cyclohexyl-3-methyl-5-[4-(trifluoromethyl)piperidin-1-yl]imidazo[4,5-b]pyridine-6-carboxamide
CID 88538424
N-[[4-chloro-3-[[5-chloro-1-methyl-6-(3-methylpiperidin-1-yl)benzimidazol-2-yl]methyl]phenyl]methyl]-1-(trifluoromethyl)cyclopropane-1-carboxamide
CID 146797395
N-(4-bromophenyl)-2-[2-chloro-5-[[[1-(trifluoromethyl)cyclopropanecarbonyl]amino]methyl]anilino]-1-(2-methoxyethyl)benzimidazole-5-carboxamide
CID 46908543
N-[[4-chloro-3-[[5-chloro-1-methyl-6-[1-[(2-methylpropan-2-yl)oxy]ethenylamino]benzimidazol-2-yl]amino]phenyl]methyl]-1-methylcyclohexane-1-carboxamide
CID 89035228
N-[[4-chloro-3-[[5-chloro-1-[2-(dimethylamino)ethyl]-6-(4-methylpiperidin-1-yl)benzimidazol-2-yl]methyl]phenyl]methyl]-1-(trifluoromethyl)cyclopropane-1-carboxamide
CID 161040075
1-(1,3-dimethyl-6-morpholin-4-yl-2-oxobenzimidazol-5-yl)-3-[(3-fluorophenyl)methyl]urea
CID 50792088
1-benzyl-3-(1,3-dimethyl-6-morpholin-4-yl-2-oxobenzimidazol-5-yl)urea
CID 50791903
N-[[4-chloro-3-[[5-chloro-1-methyl-6-[4-(trifluoromethyl)piperidin-1-yl]benzimidazol-2-yl]amino]phenyl]methyl]-2-methylpropane-2-sulfonamide
CID 67960675
N-[(4-fluoro-3-methylphenyl)methyl]-5-hydroxy-1-methyl-2-morpholin-4-yl-6-oxopyrimidine-4-carboxamide
CID 54682039

Frequently Asked Questions

What is the IUPAC name of N-[[3-[(1,5-dimethyl-6-morpholin-4-ylbenzimidazol-2-yl)amino]-4-methylphenyl]methyl]-1-(trifluoromethyl)cyclopropane-1-carboxamide?
The IUPAC name of N-[[3-[(1,5-dimethyl-6-morpholin-4-ylbenzimidazol-2-yl)amino]-4-methylphenyl]methyl]-1-(trifluoromethyl)cyclopropane-1-carboxamide (CID 163975370) is N-[[3-[(1,5-dimethyl-6-morpholin-4-ylbenzimidazol-2-yl)amino]-4-methylphenyl]methyl]-1-(trifluoromethyl)cyclopropane-1-carboxamide.
What is the SMILES notation for N-[[3-[(1,5-dimethyl-6-morpholin-4-ylbenzimidazol-2-yl)amino]-4-methylphenyl]methyl]-1-(trifluoromethyl)cyclopropane-1-carboxamide?
The canonical SMILES for N-[[3-[(1,5-dimethyl-6-morpholin-4-ylbenzimidazol-2-yl)amino]-4-methylphenyl]methyl]-1-(trifluoromethyl)cyclopropane-1-carboxamide is Cc1ccc(CNC(=O)C2(C(F)(F)F)CC2)cc1Nc1nc2cc(C)c(N3CCOCC3)cc2n1C.
What is the InChIKey of N-[[3-[(1,5-dimethyl-6-morpholin-4-ylbenzimidazol-2-yl)amino]-4-methylphenyl]methyl]-1-(trifluoromethyl)cyclopropane-1-carboxamide?
The InChIKey is STQCFHLQKFDRMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H30F3N5O2/c1-16-4-5-18(15-30-23(35)25(6-7-25)26(27,28)29)13-19(16)31-24-32-20-12-17(2)21(14-22(20)33(24)3)34-8-10-36-11-9-34/h4-5,12-14H,6-11,15H2,1-3H3,(H,30,35)(H,31,32).
What are the key properties of N-[[3-[(1,5-dimethyl-6-morpholin-4-ylbenzimidazol-2-yl)amino]-4-methylphenyl]methyl]-1-(trifluoromethyl)cyclopropane-1-carboxamide?
N-[[3-[(1,5-dimethyl-6-morpholin-4-ylbenzimidazol-2-yl)amino]-4-methylphenyl]methyl]-1-(trifluoromethyl)cyclopropane-1-carboxamide has a molecular weight of 501.55 g/mol, XLogP of 4.73, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-[(1,5-dimethyl-6-morpholin-4-ylbenzimidazol-2-yl)amino]-4-methylphenyl]methyl]-1-(trifluoromethyl)cyclopropane-1-carboxamide is sourced from PubChem (CID 163975370), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).