3-methyl-N-[(1-methylimidazol-2-yl)methyl]-N-(4-phenylbutan-2-yl)imidazole-4-carboxamide

C20H25N5O — CID 42789426

IUPAC3-methyl-N-[(1-methylimidazol-2-yl)methyl]-N-(4-phenylbutan-2-yl)imidazole-4-carboxamide
SMILESCC(CCc1ccccc1)N(Cc1nccn1C)C(=O)c1cncn1C
InChIInChI=1S/C20H25N5O/c1-16(9-10-17-7-5-4-6-8-17)25(14-19-22-11-12-23(19)2)20(26)18-13-21-15-24(18)3/h4-8,11-13,15-16H,9-10,14H2,1-3H3
InChIKeyDMZOXLWSVPQTIC-UHFFFAOYSA-N
MW351.45 g/mol
LogP2.82
Rot. Bonds7

About 3-methyl-N-[(1-methylimidazol-2-yl)methyl]-N-(4-phenylbutan-2-yl)imidazole-4-carboxamide

3-methyl-N-[(1-methylimidazol-2-yl)methyl]-N-(4-phenylbutan-2-yl)imidazole-4-carboxamide (PubChem CID 42789426) has the molecular formula C20H25N5O and a molecular weight of 351.45 g/mol. Its IUPAC name is 3-methyl-N-[(1-methylimidazol-2-yl)methyl]-N-(4-phenylbutan-2-yl)imidazole-4-carboxamide.

Molecular Properties

Compound Name3-methyl-N-[(1-methylimidazol-2-yl)methyl]-N-(4-phenylbutan-2-yl)imidazole-4-carboxamide
PubChem CID42789426
Molecular FormulaC20H25N5O
Molecular Weight351.45 g/mol
Exact Mass351.21
IUPAC Name3-methyl-N-[(1-methylimidazol-2-yl)methyl]-N-(4-phenylbutan-2-yl)imidazole-4-carboxamide
SMILESCC(CCc1ccccc1)N(Cc1nccn1C)C(=O)c1cncn1C
InChIInChI=1S/C20H25N5O/c1-16(9-10-17-7-5-4-6-8-17)25(14-19-22-11-12-23(19)2)20(26)18-13-21-15-24(18)3/h4-8,11-13,15-16H,9-10,14H2,1-3H3
InChIKeyDMZOXLWSVPQTIC-UHFFFAOYSA-N
XLogP2.82
TPSA55.95 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.45
LogP ≤ 52.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

N-benzyl-N,3-dimethylimidazole-4-carboxamide
CID 110851099
N-(4-phenylbutan-2-yl)-N-(pyridin-3-ylmethyl)pyridine-3-carboxamide
CID 42796391
N-(4-phenylbutan-2-yl)-N-(pyridin-3-ylmethyl)quinoline-2-carboxamide
CID 42796393
N-[2-(1-methylimidazol-2-yl)ethyl]-4-phenylbutan-2-amine
CID 61213282
N-ethyl-3-methyl-N-phenylimidazole-4-carboxamide
CID 42789423
2-[methyl-(3-methylimidazole-4-carbonyl)amino]butanoic acid
CID 103510505
N-(1H-imidazol-5-ylmethyl)-N-(4-phenylbutan-2-yl)pyridine-4-carboxamide
CID 42796385
N-(1H-imidazol-2-ylmethyl)-N-(4-phenylbutan-2-yl)pyridine-4-carboxamide
CID 42786814
N-(1H-imidazol-5-ylmethyl)-N-(4-phenylbutan-2-yl)quinoxaline-6-carboxamide
CID 42796388
2-[2-[(1-methylimidazol-2-yl)methylamino]-2-oxoethyl]benzoic acid
CID 104601555
2-(aminomethyl)-N-[(1-methylimidazol-2-yl)methyl]-3-phenylpropanamide
CID 63293627
3-(2-fluorophenyl)-N-[(1-methylimidazol-2-yl)methyl]-3-phenyl-N-propan-2-ylpropanamide
CID 45177870

Frequently Asked Questions

What is the IUPAC name of 3-methyl-N-[(1-methylimidazol-2-yl)methyl]-N-(4-phenylbutan-2-yl)imidazole-4-carboxamide?
The IUPAC name of 3-methyl-N-[(1-methylimidazol-2-yl)methyl]-N-(4-phenylbutan-2-yl)imidazole-4-carboxamide (CID 42789426) is 3-methyl-N-[(1-methylimidazol-2-yl)methyl]-N-(4-phenylbutan-2-yl)imidazole-4-carboxamide.
What is the SMILES notation for 3-methyl-N-[(1-methylimidazol-2-yl)methyl]-N-(4-phenylbutan-2-yl)imidazole-4-carboxamide?
The canonical SMILES for 3-methyl-N-[(1-methylimidazol-2-yl)methyl]-N-(4-phenylbutan-2-yl)imidazole-4-carboxamide is CC(CCc1ccccc1)N(Cc1nccn1C)C(=O)c1cncn1C.
What is the InChIKey of 3-methyl-N-[(1-methylimidazol-2-yl)methyl]-N-(4-phenylbutan-2-yl)imidazole-4-carboxamide?
The InChIKey is DMZOXLWSVPQTIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25N5O/c1-16(9-10-17-7-5-4-6-8-17)25(14-19-22-11-12-23(19)2)20(26)18-13-21-15-24(18)3/h4-8,11-13,15-16H,9-10,14H2,1-3H3.
What are the key properties of 3-methyl-N-[(1-methylimidazol-2-yl)methyl]-N-(4-phenylbutan-2-yl)imidazole-4-carboxamide?
3-methyl-N-[(1-methylimidazol-2-yl)methyl]-N-(4-phenylbutan-2-yl)imidazole-4-carboxamide has a molecular weight of 351.45 g/mol, XLogP of 2.82, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-N-[(1-methylimidazol-2-yl)methyl]-N-(4-phenylbutan-2-yl)imidazole-4-carboxamide is sourced from PubChem (CID 42789426), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).