N-[4-[(2-chloro-5-morpholin-4-ylphenyl)carbamoyl]cyclohexyl]-4-(4,4,4-trifluorobutanoyl)-1H-imidazole-5-carboxamide

C25H29ClF3N5O4 — CID 159598169

IUPACN-[4-[(2-chloro-5-morpholin-4-ylphenyl)carbamoyl]cyclohexyl]-4-(4,4,4-trifluorobutanoyl)-1H-imidazole-5-carboxamide
SMILESO=C(CCC(F)(F)F)c1nc[nH]c1C(=O)NC1CCC(C(=O)Nc2cc(N3CCOCC3)ccc2Cl)CC1
InChIInChI=1S/C25H29ClF3N5O4/c26-18-6-5-17(34-9-11-38-12-10-34)13-19(18)33-23(36)15-1-3-16(4-2-15)32-24(37)22-21(30-14-31-22)20(35)7-8-25(27,28)29/h5-6,13-16H,1-4,7-12H2,(H,30,31)(H,32,37)(H,33,36)
InChIKeyMLCSVABIYFMXAG-UHFFFAOYSA-N
MW555.99 g/mol
LogP4.35
Rot. Bonds8

About N-[4-[(2-chloro-5-morpholin-4-ylphenyl)carbamoyl]cyclohexyl]-4-(4,4,4-trifluorobutanoyl)-1H-imidazole-5-carboxamide

N-[4-[(2-chloro-5-morpholin-4-ylphenyl)carbamoyl]cyclohexyl]-4-(4,4,4-trifluorobutanoyl)-1H-imidazole-5-carboxamide (PubChem CID 159598169) has the molecular formula C25H29ClF3N5O4 and a molecular weight of 555.99 g/mol. Its IUPAC name is N-[4-[(2-chloro-5-morpholin-4-ylphenyl)carbamoyl]cyclohexyl]-4-(4,4,4-trifluorobutanoyl)-1H-imidazole-5-carboxamide.

Molecular Properties

Compound NameN-[4-[(2-chloro-5-morpholin-4-ylphenyl)carbamoyl]cyclohexyl]-4-(4,4,4-trifluorobutanoyl)-1H-imidazole-5-carboxamide
PubChem CID159598169
Molecular FormulaC25H29ClF3N5O4
Molecular Weight555.99 g/mol
Exact Mass555.19
IUPAC NameN-[4-[(2-chloro-5-morpholin-4-ylphenyl)carbamoyl]cyclohexyl]-4-(4,4,4-trifluorobutanoyl)-1H-imidazole-5-carboxamide
SMILESO=C(CCC(F)(F)F)c1nc[nH]c1C(=O)NC1CCC(C(=O)Nc2cc(N3CCOCC3)ccc2Cl)CC1
InChIInChI=1S/C25H29ClF3N5O4/c26-18-6-5-17(34-9-11-38-12-10-34)13-19(18)33-23(36)15-1-3-16(4-2-15)32-24(37)22-21(30-14-31-22)20(35)7-8-25(27,28)29/h5-6,13-16H,1-4,7-12H2,(H,30,31)(H,32,37)(H,33,36)
InChIKeyMLCSVABIYFMXAG-UHFFFAOYSA-N
XLogP4.35
TPSA116.42 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms38
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500555.99
LogP ≤ 54.35
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Analyze N-[4-[(2-chloro-5-morpholin-4-ylphenyl)carbamoyl]cyclohexyl]-4-(4,4,4-trifluorobutanoyl)-1H-imidazole-5-carboxamide 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 N-[4-[(2-chloro-5-morpholin-4-ylphenyl)carbamoyl]cyclohexyl]-4-(4,4,4-trifluorobutanoyl)-1H-imidazole-5-carboxamide?
The IUPAC name of N-[4-[(2-chloro-5-morpholin-4-ylphenyl)carbamoyl]cyclohexyl]-4-(4,4,4-trifluorobutanoyl)-1H-imidazole-5-carboxamide (CID 159598169) is N-[4-[(2-chloro-5-morpholin-4-ylphenyl)carbamoyl]cyclohexyl]-4-(4,4,4-trifluorobutanoyl)-1H-imidazole-5-carboxamide.
What is the SMILES notation for N-[4-[(2-chloro-5-morpholin-4-ylphenyl)carbamoyl]cyclohexyl]-4-(4,4,4-trifluorobutanoyl)-1H-imidazole-5-carboxamide?
The canonical SMILES for N-[4-[(2-chloro-5-morpholin-4-ylphenyl)carbamoyl]cyclohexyl]-4-(4,4,4-trifluorobutanoyl)-1H-imidazole-5-carboxamide is O=C(CCC(F)(F)F)c1nc[nH]c1C(=O)NC1CCC(C(=O)Nc2cc(N3CCOCC3)ccc2Cl)CC1.
What is the InChIKey of N-[4-[(2-chloro-5-morpholin-4-ylphenyl)carbamoyl]cyclohexyl]-4-(4,4,4-trifluorobutanoyl)-1H-imidazole-5-carboxamide?
The InChIKey is MLCSVABIYFMXAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H29ClF3N5O4/c26-18-6-5-17(34-9-11-38-12-10-34)13-19(18)33-23(36)15-1-3-16(4-2-15)32-24(37)22-21(30-14-31-22)20(35)7-8-25(27,28)29/h5-6,13-16H,1-4,7-12H2,(H,30,31)(H,32,37)(H,33,36).
What are the key properties of N-[4-[(2-chloro-5-morpholin-4-ylphenyl)carbamoyl]cyclohexyl]-4-(4,4,4-trifluorobutanoyl)-1H-imidazole-5-carboxamide?
N-[4-[(2-chloro-5-morpholin-4-ylphenyl)carbamoyl]cyclohexyl]-4-(4,4,4-trifluorobutanoyl)-1H-imidazole-5-carboxamide has a molecular weight of 555.99 g/mol, XLogP of 4.35, 8 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[(2-chloro-5-morpholin-4-ylphenyl)carbamoyl]cyclohexyl]-4-(4,4,4-trifluorobutanoyl)-1H-imidazole-5-carboxamide is sourced from PubChem (CID 159598169), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).