1-methyl-N-(2-methyl-3-phenylphenyl)-5-(piperidin-1-ylmethyl)imidazole-2-carboxamide

C24H28N4O — CID 175846872

IUPAC1-methyl-N-(2-methyl-3-phenylphenyl)-5-(piperidin-1-ylmethyl)imidazole-2-carboxamide
SMILESCc1c(NC(=O)c2ncc(CN3CCCCC3)n2C)cccc1-c1ccccc1
InChIInChI=1S/C24H28N4O/c1-18-21(19-10-5-3-6-11-19)12-9-13-22(18)26-24(29)23-25-16-20(27(23)2)17-28-14-7-4-8-15-28/h3,5-6,9-13,16H,4,7-8,14-15,17H2,1-2H3,(H,26,29)
InChIKeyRUIIPXTZDHDROX-UHFFFAOYSA-N
MW388.52 g/mol
LogP4.63
Rot. Bonds5

About 1-methyl-N-(2-methyl-3-phenylphenyl)-5-(piperidin-1-ylmethyl)imidazole-2-carboxamide

1-methyl-N-(2-methyl-3-phenylphenyl)-5-(piperidin-1-ylmethyl)imidazole-2-carboxamide (PubChem CID 175846872) has the molecular formula C24H28N4O and a molecular weight of 388.52 g/mol. Its IUPAC name is 1-methyl-N-(2-methyl-3-phenylphenyl)-5-(piperidin-1-ylmethyl)imidazole-2-carboxamide.

Molecular Properties

Compound Name1-methyl-N-(2-methyl-3-phenylphenyl)-5-(piperidin-1-ylmethyl)imidazole-2-carboxamide
PubChem CID175846872
Molecular FormulaC24H28N4O
Molecular Weight388.52 g/mol
Exact Mass388.23
IUPAC Name1-methyl-N-(2-methyl-3-phenylphenyl)-5-(piperidin-1-ylmethyl)imidazole-2-carboxamide
SMILESCc1c(NC(=O)c2ncc(CN3CCCCC3)n2C)cccc1-c1ccccc1
InChIInChI=1S/C24H28N4O/c1-18-21(19-10-5-3-6-11-19)12-9-13-22(18)26-24(29)23-25-16-20(27(23)2)17-28-14-7-4-8-15-28/h3,5-6,9-13,16H,4,7-8,14-15,17H2,1-2H3,(H,26,29)
InChIKeyRUIIPXTZDHDROX-UHFFFAOYSA-N
XLogP4.63
TPSA50.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.52
LogP ≤ 54.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2-methyl-3-phenylphenyl)-5-(piperidin-1-ylmethyl)-1,3-thiazole-2-carboxamide
CID 175846923
N-(2-methyl-3-phenylphenyl)benzamide
CID 70826263
1-[[5-methyl-2-[(2-methyl-3-phenylphenyl)carbamoyl]-4-pyridinyl]methyl]piperidine-2-carboxylic acid
CID 167006153
5-formyl-N-(2-methyl-3-phenylphenyl)-1,3-thiazole-2-carboxamide
CID 134282246
6-(4-benzylpiperazin-1-yl)-N-[2-methyl-3-[4-(trifluoromethyl)phenyl]phenyl]pyridine-3-carboxamide
CID 53354399
5-[[(2S)-2-(dihydroxymethyl)piperidin-1-yl]methyl]-6-methyl-N-(2-methyl-3-phenylphenyl)pyridine-2-carboxamide
CID 167006152
(2R)-2-[[4-cyclopropyl-6-[[3-[3-[[4-cyclopropyl-5-(pyrrolidin-1-ylmethyl)pyridine-2-carbonyl]amino]-2-methylphenyl]-2-methylphenyl]carbamoyl]-3-pyridinyl]methylamino]-3-hydroxypropanoic acid
CID 166042066
N-[3-[2-chloro-3-[[5-(dimethoxymethyl)pyridine-2-carbonyl]amino]phenyl]-2-methylphenyl]-4-methyl-5-(piperidin-1-ylmethyl)pyridine-2-carboxamide
CID 166735101
4-(2-chlorophenyl)-N-[8-methyl-3-(pyrrolidin-1-ylmethyl)quinolin-7-yl]benzamide
CID 18435919
methyl 6-[(2-methyl-3-phenylphenyl)carbamoyl]pyridazine-3-carboxylate
CID 129240369
3-amino-N-(2-methyl-3-phenylphenyl)piperidine-1-carboxamide
CID 135146828
N-(3-chloro-2-methylphenyl)-5-(piperidin-1-ylmethyl)furan-2-carboxamide
CID 19415881

Frequently Asked Questions

What is the IUPAC name of 1-methyl-N-(2-methyl-3-phenylphenyl)-5-(piperidin-1-ylmethyl)imidazole-2-carboxamide?
The IUPAC name of 1-methyl-N-(2-methyl-3-phenylphenyl)-5-(piperidin-1-ylmethyl)imidazole-2-carboxamide (CID 175846872) is 1-methyl-N-(2-methyl-3-phenylphenyl)-5-(piperidin-1-ylmethyl)imidazole-2-carboxamide.
What is the SMILES notation for 1-methyl-N-(2-methyl-3-phenylphenyl)-5-(piperidin-1-ylmethyl)imidazole-2-carboxamide?
The canonical SMILES for 1-methyl-N-(2-methyl-3-phenylphenyl)-5-(piperidin-1-ylmethyl)imidazole-2-carboxamide is Cc1c(NC(=O)c2ncc(CN3CCCCC3)n2C)cccc1-c1ccccc1.
What is the InChIKey of 1-methyl-N-(2-methyl-3-phenylphenyl)-5-(piperidin-1-ylmethyl)imidazole-2-carboxamide?
The InChIKey is RUIIPXTZDHDROX-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H28N4O/c1-18-21(19-10-5-3-6-11-19)12-9-13-22(18)26-24(29)23-25-16-20(27(23)2)17-28-14-7-4-8-15-28/h3,5-6,9-13,16H,4,7-8,14-15,17H2,1-2H3,(H,26,29).
What are the key properties of 1-methyl-N-(2-methyl-3-phenylphenyl)-5-(piperidin-1-ylmethyl)imidazole-2-carboxamide?
1-methyl-N-(2-methyl-3-phenylphenyl)-5-(piperidin-1-ylmethyl)imidazole-2-carboxamide has a molecular weight of 388.52 g/mol, XLogP of 4.63, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-N-(2-methyl-3-phenylphenyl)-5-(piperidin-1-ylmethyl)imidazole-2-carboxamide is sourced from PubChem (CID 175846872), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).