N-[3-[4-(3-chloro-2-methylphenyl)piperazin-1-yl]propyl]-5-methyl-N-(2-methylphenyl)-2-propyl-1H-imidazole-4-carboxamide

C29H38ClN5O — CID 123202233

IUPACN-[3-[4-(3-chloro-2-methylphenyl)piperazin-1-yl]propyl]-5-methyl-N-(2-methylphenyl)-2-propyl-1H-imidazole-4-carboxamide
SMILESCCCc1nc(C(=O)N(CCCN2CCN(c3cccc(Cl)c3C)CC2)c2ccccc2C)c(C)[nH]1
InChIInChI=1S/C29H38ClN5O/c1-5-10-27-31-23(4)28(32-27)29(36)35(25-13-7-6-11-21(25)2)16-9-15-33-17-19-34(20-18-33)26-14-8-12-24(30)22(26)3/h6-8,11-14H,5,9-10,15-20H2,1-4H3,(H,31,32)
InChIKeyBTIOJHGRWNRBJN-UHFFFAOYSA-N
MW508.11 g/mol
LogP5.80
Rot. Bonds9

About N-[3-[4-(3-chloro-2-methylphenyl)piperazin-1-yl]propyl]-5-methyl-N-(2-methylphenyl)-2-propyl-1H-imidazole-4-carboxamide

N-[3-[4-(3-chloro-2-methylphenyl)piperazin-1-yl]propyl]-5-methyl-N-(2-methylphenyl)-2-propyl-1H-imidazole-4-carboxamide (PubChem CID 123202233) has the molecular formula C29H38ClN5O and a molecular weight of 508.11 g/mol. Its IUPAC name is N-[3-[4-(3-chloro-2-methylphenyl)piperazin-1-yl]propyl]-5-methyl-N-(2-methylphenyl)-2-propyl-1H-imidazole-4-carboxamide.

Molecular Properties

Compound NameN-[3-[4-(3-chloro-2-methylphenyl)piperazin-1-yl]propyl]-5-methyl-N-(2-methylphenyl)-2-propyl-1H-imidazole-4-carboxamide
PubChem CID123202233
Molecular FormulaC29H38ClN5O
Molecular Weight508.11 g/mol
Exact Mass507.28
IUPAC NameN-[3-[4-(3-chloro-2-methylphenyl)piperazin-1-yl]propyl]-5-methyl-N-(2-methylphenyl)-2-propyl-1H-imidazole-4-carboxamide
SMILESCCCc1nc(C(=O)N(CCCN2CCN(c3cccc(Cl)c3C)CC2)c2ccccc2C)c(C)[nH]1
InChIInChI=1S/C29H38ClN5O/c1-5-10-27-31-23(4)28(32-27)29(36)35(25-13-7-6-11-21(25)2)16-9-15-33-17-19-34(20-18-33)26-14-8-12-24(30)22(26)3/h6-8,11-14H,5,9-10,15-20H2,1-4H3,(H,31,32)
InChIKeyBTIOJHGRWNRBJN-UHFFFAOYSA-N
XLogP5.80
TPSA55.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms36
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500508.11
LogP ≤ 55.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[3-[4-(3-chloro-2-methylphenyl)piperazin-1-yl]-2-hydroxypropyl]-5-methyl-N-(2-methylphenyl)-2-phenyl-1H-imidazole-4-carboxamide
CID 123396153
1-(3-chloro-2-methylphenyl)-4-pentylpiperazine
CID 20649335
N-[3-[4-(3-chloro-2-methylphenyl)piperazin-1-yl]propyl]-1-cyclopentyl-N,2,5-trimethylimidazole-4-carboxamide;dihydrochloride
CID 67494958
N-[3-[4-(3-chloro-2-methylphenyl)piperazin-1-yl]propyl]-1-(4-chlorophenyl)-5-methyl-2-propylimidazole-4-carboxamide;dihydrochloride
CID 67495550
N-[3-[4-(3-chloro-2-methylphenyl)piperazin-1-yl]propyl]-1-(2-chlorophenyl)-2,5-dimethylimidazole-4-carboxamide;tetrahydrochloride
CID 90664598
1-(1,3-benzodioxol-5-yl)-N-[3-[4-(3-chloro-2-methylphenyl)piperazin-1-yl]propyl]-5-methyl-2-propylimidazole-4-carboxamide;dihydrochloride
CID 67494853
N-[3-[4-(3-chloro-2-methylphenyl)piperazin-1-yl]propyl]-1-(2-chlorophenyl)-5-methyl-2-phenylimidazole-4-carboxamide;dihydrochloride
CID 67494967
1-(3-chloro-2-methylphenyl)-4-(5,5-dimethylhexyl)piperazine
CID 22957128
N-[3-[4-(2,3-dimethylphenyl)piperazin-1-yl]propyl]-1-(2-fluorophenyl)-5-methyl-2-propylimidazole-4-carboxamide
CID 66899060
N-[4-[4-(3-chloro-2-methylphenyl)piperazin-1-yl]butyl]-1H-imidazo[4,5-b]pyridine-2-carboxamide
CID 143226899
N-[4-[4-(3-chloro-2-methylphenyl)piperazin-1-yl]butyl]anthracene-2-carboxamide;dihydrochloride
CID 21202835
N-[3-[4-(2,3-dichlorophenyl)piperazin-1-yl]propyl]-N-methyl-4-phenyl-2-propyl-1,3-oxazole-5-carboxamide
CID 142710297

Frequently Asked Questions

What is the IUPAC name of N-[3-[4-(3-chloro-2-methylphenyl)piperazin-1-yl]propyl]-5-methyl-N-(2-methylphenyl)-2-propyl-1H-imidazole-4-carboxamide?
The IUPAC name of N-[3-[4-(3-chloro-2-methylphenyl)piperazin-1-yl]propyl]-5-methyl-N-(2-methylphenyl)-2-propyl-1H-imidazole-4-carboxamide (CID 123202233) is N-[3-[4-(3-chloro-2-methylphenyl)piperazin-1-yl]propyl]-5-methyl-N-(2-methylphenyl)-2-propyl-1H-imidazole-4-carboxamide.
What is the SMILES notation for N-[3-[4-(3-chloro-2-methylphenyl)piperazin-1-yl]propyl]-5-methyl-N-(2-methylphenyl)-2-propyl-1H-imidazole-4-carboxamide?
The canonical SMILES for N-[3-[4-(3-chloro-2-methylphenyl)piperazin-1-yl]propyl]-5-methyl-N-(2-methylphenyl)-2-propyl-1H-imidazole-4-carboxamide is CCCc1nc(C(=O)N(CCCN2CCN(c3cccc(Cl)c3C)CC2)c2ccccc2C)c(C)[nH]1.
What is the InChIKey of N-[3-[4-(3-chloro-2-methylphenyl)piperazin-1-yl]propyl]-5-methyl-N-(2-methylphenyl)-2-propyl-1H-imidazole-4-carboxamide?
The InChIKey is BTIOJHGRWNRBJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H38ClN5O/c1-5-10-27-31-23(4)28(32-27)29(36)35(25-13-7-6-11-21(25)2)16-9-15-33-17-19-34(20-18-33)26-14-8-12-24(30)22(26)3/h6-8,11-14H,5,9-10,15-20H2,1-4H3,(H,31,32).
What are the key properties of N-[3-[4-(3-chloro-2-methylphenyl)piperazin-1-yl]propyl]-5-methyl-N-(2-methylphenyl)-2-propyl-1H-imidazole-4-carboxamide?
N-[3-[4-(3-chloro-2-methylphenyl)piperazin-1-yl]propyl]-5-methyl-N-(2-methylphenyl)-2-propyl-1H-imidazole-4-carboxamide has a molecular weight of 508.11 g/mol, XLogP of 5.80, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[4-(3-chloro-2-methylphenyl)piperazin-1-yl]propyl]-5-methyl-N-(2-methylphenyl)-2-propyl-1H-imidazole-4-carboxamide is sourced from PubChem (CID 123202233), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).