N-cyclopropyl-1-methyl-5-[2-methyl-5-[[4-(morpholin-4-ylmethyl)-3-(trifluoromethyl)phenyl]carbamoyl]phenyl]imidazole-2-carboxamide

C28H30F3N5O3 — CID 71181299

IUPACN-cyclopropyl-1-methyl-5-[2-methyl-5-[[4-(morpholin-4-ylmethyl)-3-(trifluoromethyl)phenyl]carbamoyl]phenyl]imidazole-2-carboxamide
SMILESCc1ccc(C(=O)Nc2ccc(CN3CCOCC3)c(C(F)(F)F)c2)cc1-c1cnc(C(=O)NC2CC2)n1C
InChIInChI=1S/C28H30F3N5O3/c1-17-3-4-18(13-22(17)24-15-32-25(35(24)2)27(38)33-20-7-8-20)26(37)34-21-6-5-19(23(14-21)28(29,30)31)16-36-9-11-39-12-10-36/h3-6,13-15,20H,7-12,16H2,1-2H3,(H,33,38)(H,34,37)
InChIKeyPSEQCZRNCOCPAF-UHFFFAOYSA-N
MW541.57 g/mol
LogP4.39
Rot. Bonds7

About N-cyclopropyl-1-methyl-5-[2-methyl-5-[[4-(morpholin-4-ylmethyl)-3-(trifluoromethyl)phenyl]carbamoyl]phenyl]imidazole-2-carboxamide

N-cyclopropyl-1-methyl-5-[2-methyl-5-[[4-(morpholin-4-ylmethyl)-3-(trifluoromethyl)phenyl]carbamoyl]phenyl]imidazole-2-carboxamide (PubChem CID 71181299) has the molecular formula C28H30F3N5O3 and a molecular weight of 541.57 g/mol. Its IUPAC name is N-cyclopropyl-1-methyl-5-[2-methyl-5-[[4-(morpholin-4-ylmethyl)-3-(trifluoromethyl)phenyl]carbamoyl]phenyl]imidazole-2-carboxamide.

Molecular Properties

Compound NameN-cyclopropyl-1-methyl-5-[2-methyl-5-[[4-(morpholin-4-ylmethyl)-3-(trifluoromethyl)phenyl]carbamoyl]phenyl]imidazole-2-carboxamide
PubChem CID71181299
Molecular FormulaC28H30F3N5O3
Molecular Weight541.57 g/mol
Exact Mass541.23
IUPAC NameN-cyclopropyl-1-methyl-5-[2-methyl-5-[[4-(morpholin-4-ylmethyl)-3-(trifluoromethyl)phenyl]carbamoyl]phenyl]imidazole-2-carboxamide
SMILESCc1ccc(C(=O)Nc2ccc(CN3CCOCC3)c(C(F)(F)F)c2)cc1-c1cnc(C(=O)NC2CC2)n1C
InChIInChI=1S/C28H30F3N5O3/c1-17-3-4-18(13-22(17)24-15-32-25(35(24)2)27(38)33-20-7-8-20)26(37)34-21-6-5-19(23(14-21)28(29,30)31)16-36-9-11-39-12-10-36/h3-6,13-15,20H,7-12,16H2,1-2H3,(H,33,38)(H,34,37)
InChIKeyPSEQCZRNCOCPAF-UHFFFAOYSA-N
XLogP4.39
TPSA88.49 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms39
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500541.57
LogP ≤ 54.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

3-amino-4-methyl-N-[4-(morpholin-4-ylmethyl)-3-(trifluoromethyl)phenyl]benzamide;2-(methylamino)-1,3-thiazole-5-carboxylic acid
CID 162621508
4-methyl-N-[4-[(4-methylpiperazin-1-yl)methyl]-3-(trifluoromethyl)phenyl]-3-quinazolin-6-ylbenzamide
CID 11606053
3-(2-imidazo[1,2-a]pyrazin-3-ylethynyl)-4-methyl-N-[4-(morpholin-4-ylmethyl)-3-(trifluoromethyl)phenyl]benzamide
CID 24827077
N-(2-hydroxyethyl)-1-methyl-5-[2-[2-methyl-5-[[4-[(4-methylpiperazin-1-yl)methyl]-3-(trifluoromethyl)phenyl]carbamoyl]phenyl]ethynyl]imidazole-2-carboxamide
CID 54582383
2-(cyclopropylamino)-N-[2-methyl-5-[[4-[(4-methylpiperazin-1-yl)methyl]-3-(trifluoromethyl)phenyl]carbamoyl]phenyl]-1,3-thiazole-5-carboxamide
CID 11671413
4-methyl-N-[4-(piperazin-1-ylmethyl)-3-(trifluoromethyl)phenyl]-3-pyridin-3-ylbenzamide
CID 70992760
4-methyl-3-[2-(1-methylimidazol-4-yl)ethynyl]-N-[4-[(4-methylpiperazin-1-yl)methyl]-3-(trifluoromethyl)phenyl]benzamide
CID 156597802
3,4-dimethyl-N-[4-[(4-methylpiperazin-1-yl)methyl]-3-(trifluoromethyl)phenyl]benzamide;4,4,5,5-tetramethyl-1,3-dioxolane
CID 143179732
N-[3-(aminomethyl)-4-methylphenyl]-4-[(4-methylpiperazin-1-yl)methyl]-3-(trifluoromethyl)benzamide
CID 141408826
4-methyl-3-(5-methyl-2-morpholin-4-ylpyrrolo[3,2-d]pyrimidin-4-yl)oxy-N-[4-[(4-methylpiperazin-1-yl)methyl]-3-(trifluoromethyl)phenyl]benzamide
CID 146556616
N-[3-(2-aminoquinazolin-6-yl)-4-methylphenyl]-4-[(4-methylpiperazin-1-yl)methyl]-3-(trifluoromethyl)benzamide
CID 11606245
N-[5-[[4-[(4-ethylpiperazin-1-yl)methyl]-3-(trifluoromethyl)phenyl]carbamoyl]-2-methylphenyl]pyridazine-4-carboxamide
CID 16746041

Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-1-methyl-5-[2-methyl-5-[[4-(morpholin-4-ylmethyl)-3-(trifluoromethyl)phenyl]carbamoyl]phenyl]imidazole-2-carboxamide?
The IUPAC name of N-cyclopropyl-1-methyl-5-[2-methyl-5-[[4-(morpholin-4-ylmethyl)-3-(trifluoromethyl)phenyl]carbamoyl]phenyl]imidazole-2-carboxamide (CID 71181299) is N-cyclopropyl-1-methyl-5-[2-methyl-5-[[4-(morpholin-4-ylmethyl)-3-(trifluoromethyl)phenyl]carbamoyl]phenyl]imidazole-2-carboxamide.
What is the SMILES notation for N-cyclopropyl-1-methyl-5-[2-methyl-5-[[4-(morpholin-4-ylmethyl)-3-(trifluoromethyl)phenyl]carbamoyl]phenyl]imidazole-2-carboxamide?
The canonical SMILES for N-cyclopropyl-1-methyl-5-[2-methyl-5-[[4-(morpholin-4-ylmethyl)-3-(trifluoromethyl)phenyl]carbamoyl]phenyl]imidazole-2-carboxamide is Cc1ccc(C(=O)Nc2ccc(CN3CCOCC3)c(C(F)(F)F)c2)cc1-c1cnc(C(=O)NC2CC2)n1C.
What is the InChIKey of N-cyclopropyl-1-methyl-5-[2-methyl-5-[[4-(morpholin-4-ylmethyl)-3-(trifluoromethyl)phenyl]carbamoyl]phenyl]imidazole-2-carboxamide?
The InChIKey is PSEQCZRNCOCPAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H30F3N5O3/c1-17-3-4-18(13-22(17)24-15-32-25(35(24)2)27(38)33-20-7-8-20)26(37)34-21-6-5-19(23(14-21)28(29,30)31)16-36-9-11-39-12-10-36/h3-6,13-15,20H,7-12,16H2,1-2H3,(H,33,38)(H,34,37).
What are the key properties of N-cyclopropyl-1-methyl-5-[2-methyl-5-[[4-(morpholin-4-ylmethyl)-3-(trifluoromethyl)phenyl]carbamoyl]phenyl]imidazole-2-carboxamide?
N-cyclopropyl-1-methyl-5-[2-methyl-5-[[4-(morpholin-4-ylmethyl)-3-(trifluoromethyl)phenyl]carbamoyl]phenyl]imidazole-2-carboxamide has a molecular weight of 541.57 g/mol, XLogP of 4.39, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-1-methyl-5-[2-methyl-5-[[4-(morpholin-4-ylmethyl)-3-(trifluoromethyl)phenyl]carbamoyl]phenyl]imidazole-2-carboxamide is sourced from PubChem (CID 71181299), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).