N-[2-chloro-3-[2-chloro-3-(methylamino)phenyl]phenyl]-4-ethyl-1-methyl-5-propylimidazole-2-carboxamide

C23H26Cl2N4O — CID 142388609

IUPACN-[2-chloro-3-[2-chloro-3-(methylamino)phenyl]phenyl]-4-ethyl-1-methyl-5-propylimidazole-2-carboxamide
SMILESCCCc1c(CC)nc(C(=O)Nc2cccc(-c3cccc(NC)c3Cl)c2Cl)n1C
InChIInChI=1S/C23H26Cl2N4O/c1-5-9-19-16(6-2)27-22(29(19)4)23(30)28-18-13-8-11-15(21(18)25)14-10-7-12-17(26-3)20(14)24/h7-8,10-13,26H,5-6,9H2,1-4H3,(H,28,30)
InChIKeyAOMPEGXXNPSANK-UHFFFAOYSA-N
MW445.39 g/mol
LogP6.20
Rot. Bonds7

About N-[2-chloro-3-[2-chloro-3-(methylamino)phenyl]phenyl]-4-ethyl-1-methyl-5-propylimidazole-2-carboxamide

N-[2-chloro-3-[2-chloro-3-(methylamino)phenyl]phenyl]-4-ethyl-1-methyl-5-propylimidazole-2-carboxamide (PubChem CID 142388609) has the molecular formula C23H26Cl2N4O and a molecular weight of 445.39 g/mol. Its IUPAC name is N-[2-chloro-3-[2-chloro-3-(methylamino)phenyl]phenyl]-4-ethyl-1-methyl-5-propylimidazole-2-carboxamide.

Molecular Properties

Compound NameN-[2-chloro-3-[2-chloro-3-(methylamino)phenyl]phenyl]-4-ethyl-1-methyl-5-propylimidazole-2-carboxamide
PubChem CID142388609
Molecular FormulaC23H26Cl2N4O
Molecular Weight445.39 g/mol
Exact Mass444.15
IUPAC NameN-[2-chloro-3-[2-chloro-3-(methylamino)phenyl]phenyl]-4-ethyl-1-methyl-5-propylimidazole-2-carboxamide
SMILESCCCc1c(CC)nc(C(=O)Nc2cccc(-c3cccc(NC)c3Cl)c2Cl)n1C
InChIInChI=1S/C23H26Cl2N4O/c1-5-9-19-16(6-2)27-22(29(19)4)23(30)28-18-13-8-11-15(21(18)25)14-10-7-12-17(26-3)20(14)24/h7-8,10-13,26H,5-6,9H2,1-4H3,(H,28,30)
InChIKeyAOMPEGXXNPSANK-UHFFFAOYSA-N
XLogP6.20
TPSA58.95 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500445.39
LogP ≤ 56.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze N-[2-chloro-3-[2-chloro-3-(methylamino)phenyl]phenyl]-4-ethyl-1-methyl-5-propylimidazole-2-carboxamide with MolForge

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

Launch Full Analysis

Related Compounds

N-[2-chloro-3-[5-[(5-ethyl-1-methyl-6,7-dihydro-4H-imidazo[4,5-c]pyridine-2-carbonyl)amino]-4-methyl-3-pyridinyl]phenyl]-5-ethyl-1-methyl-6,7-dihydro-4H-imidazo[4,5-c]pyridine-2-carboxamide
CID 166666737
N-[2-chloro-3-[2-chloro-3-(methylamino)phenyl]phenyl]-5-[2-[4-(difluoromethoxymethyl)-1-bicyclo[2.2.1]heptanyl]ethyl]-1-methyl-6,7-dihydro-4H-imidazo[4,5-c]pyridine-2-carboxamide
CID 170384167
N-[2-chloro-3-[2-chloro-3-[[5-(2-cyclohexylethyl)-1-methyl-6,7-dihydro-4H-imidazo[4,5-c]pyridine-2-carbonyl]amino]phenyl]phenyl]-1,5-dimethyl-6,7-dihydro-4H-imidazo[4,5-c]pyridine-2-carboxamide
CID 175763848
N-[2-chloro-3-[2-chloro-3-[(5-cyclobutyl-1-methyl-6,7-dihydro-4H-imidazo[4,5-c]pyridine-2-carbonyl)amino]phenyl]phenyl]-5-(2-cyclohexylethyl)-1-methyl-6,7-dihydro-4H-imidazo[4,5-c]pyridine-2-carboxamide
CID 175763883
[2-chloro-3-[3-[(4-methoxycarbonyl-1-methylimidazole-2-carbonyl)amino]-2-methylphenyl]phenyl]carbamic acid
CID 175858021
4-[2-[2-[[3-[2-chloro-3-(methylamino)phenyl]-2-methylphenyl]carbamoyl]-1-methyl-6,7-dihydro-4H-imidazo[4,5-c]pyridin-5-yl]ethyl]bicyclo[2.2.1]heptane-1-carboxylic acid
CID 146252941
N-[3-[2-chloro-3-[[(E)-1-[5-[(4-formylcyclohexyl)methyl]-1-methyl-6,7-dihydro-4H-imidazo[4,5-c]pyridin-2-yl]but-1-enyl]amino]phenyl]-2-propylphenyl]-5-(cyclopropylmethyl)-1-methyl-6,7-dihydro-4H-imidazo[4,5-c]pyridine-2-carboxamide;ethane;methanol
CID 142388708
N-[2-chloro-3-[3-[[5-(4-hydroxycyclohexyl)-1-methyl-6,7-dihydro-4H-imidazo[4,5-c]pyridine-2-carbonyl]amino]-2-methylphenyl]phenyl]-5-ethyl-1-methyl-6,7-dihydro-4H-imidazo[4,5-c]pyridine-2-carboxamide
CID 135165277
2-[2-[[3-[2-chloro-3-[(1,5-dimethyl-6,7-dihydro-4H-imidazo[4,5-c]pyridine-2-carbonyl)amino]phenyl]-2-methylphenyl]carbamoyl]-1-methyl-6,7-dihydro-4H-imidazo[4,5-c]pyridin-5-yl]acetic acid
CID 135146602
N-[2-chloro-3-[2-chloro-3-[[5-[(2R)-2-hydroxypropyl]-1-methyl-6,7-dihydro-4H-imidazo[4,5-c]pyridine-2-carbonyl]amino]phenyl]phenyl]-5-(cyclohexylmethyl)-1-methyl-6,7-dihydro-4H-imidazo[4,5-c]pyridine-2-carboxamide
CID 175763817
4-[2-[[2-chloro-3-[2-chloro-3-[[1-methyl-5-(5-methyl-4-oxohexyl)-6,7-dihydro-4H-imidazo[4,5-c]pyridine-2-carbonyl]amino]phenyl]phenyl]carbamoyl]-1-methyl-6,7-dihydro-4H-imidazo[4,5-c]pyridin-5-yl]butanoic acid
CID 167379878
N-[2-chloro-3-[3-[(5-cyclopentyl-1-methyl-6,7-dihydro-4H-imidazo[4,5-c]pyridine-2-carbonyl)amino]-2-methylphenyl]phenyl]-5-(2-cyclohexylethyl)-1-methyl-6,7-dihydro-4H-imidazo[4,5-c]pyridine-2-carboxamide
CID 175763833

Frequently Asked Questions

What is the IUPAC name of N-[2-chloro-3-[2-chloro-3-(methylamino)phenyl]phenyl]-4-ethyl-1-methyl-5-propylimidazole-2-carboxamide?
The IUPAC name of N-[2-chloro-3-[2-chloro-3-(methylamino)phenyl]phenyl]-4-ethyl-1-methyl-5-propylimidazole-2-carboxamide (CID 142388609) is N-[2-chloro-3-[2-chloro-3-(methylamino)phenyl]phenyl]-4-ethyl-1-methyl-5-propylimidazole-2-carboxamide.
What is the SMILES notation for N-[2-chloro-3-[2-chloro-3-(methylamino)phenyl]phenyl]-4-ethyl-1-methyl-5-propylimidazole-2-carboxamide?
The canonical SMILES for N-[2-chloro-3-[2-chloro-3-(methylamino)phenyl]phenyl]-4-ethyl-1-methyl-5-propylimidazole-2-carboxamide is CCCc1c(CC)nc(C(=O)Nc2cccc(-c3cccc(NC)c3Cl)c2Cl)n1C.
What is the InChIKey of N-[2-chloro-3-[2-chloro-3-(methylamino)phenyl]phenyl]-4-ethyl-1-methyl-5-propylimidazole-2-carboxamide?
The InChIKey is AOMPEGXXNPSANK-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26Cl2N4O/c1-5-9-19-16(6-2)27-22(29(19)4)23(30)28-18-13-8-11-15(21(18)25)14-10-7-12-17(26-3)20(14)24/h7-8,10-13,26H,5-6,9H2,1-4H3,(H,28,30).
What are the key properties of N-[2-chloro-3-[2-chloro-3-(methylamino)phenyl]phenyl]-4-ethyl-1-methyl-5-propylimidazole-2-carboxamide?
N-[2-chloro-3-[2-chloro-3-(methylamino)phenyl]phenyl]-4-ethyl-1-methyl-5-propylimidazole-2-carboxamide has a molecular weight of 445.39 g/mol, XLogP of 6.20, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-chloro-3-[2-chloro-3-(methylamino)phenyl]phenyl]-4-ethyl-1-methyl-5-propylimidazole-2-carboxamide is sourced from PubChem (CID 142388609), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).