N-[4-(1-methylimidazole-2-carbonyl)phenyl]-3-(4-methylphenyl)propanamide

C21H21N3O2 — CID 24555609

IUPACN-[4-(1-methylimidazole-2-carbonyl)phenyl]-3-(4-methylphenyl)propanamide
SMILESCc1ccc(CCC(=O)Nc2ccc(C(=O)c3nccn3C)cc2)cc1
InChIInChI=1S/C21H21N3O2/c1-15-3-5-16(6-4-15)7-12-19(25)23-18-10-8-17(9-11-18)20(26)21-22-13-14-24(21)2/h3-6,8-11,13-14H,7,12H2,1-2H3,(H,23,25)
InChIKeyZRBWLHJQZFIIRB-UHFFFAOYSA-N
MW347.42 g/mol
LogP3.53
Rot. Bonds6

About N-[4-(1-methylimidazole-2-carbonyl)phenyl]-3-(4-methylphenyl)propanamide

N-[4-(1-methylimidazole-2-carbonyl)phenyl]-3-(4-methylphenyl)propanamide (PubChem CID 24555609) has the molecular formula C21H21N3O2 and a molecular weight of 347.42 g/mol. Its IUPAC name is N-[4-(1-methylimidazole-2-carbonyl)phenyl]-3-(4-methylphenyl)propanamide.

Molecular Properties

Compound NameN-[4-(1-methylimidazole-2-carbonyl)phenyl]-3-(4-methylphenyl)propanamide
PubChem CID24555609
Molecular FormulaC21H21N3O2
Molecular Weight347.42 g/mol
Exact Mass347.16
IUPAC NameN-[4-(1-methylimidazole-2-carbonyl)phenyl]-3-(4-methylphenyl)propanamide
SMILESCc1ccc(CCC(=O)Nc2ccc(C(=O)c3nccn3C)cc2)cc1
InChIInChI=1S/C21H21N3O2/c1-15-3-5-16(6-4-15)7-12-19(25)23-18-10-8-17(9-11-18)20(26)21-22-13-14-24(21)2/h3-6,8-11,13-14H,7,12H2,1-2H3,(H,23,25)
InChIKeyZRBWLHJQZFIIRB-UHFFFAOYSA-N
XLogP3.53
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.42
LogP ≤ 53.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-(3,4-dimethoxyphenyl)-N-[4-(1-methylimidazole-2-carbonyl)phenyl]propanamide
CID 43027725
N,3-bis(4-methylphenyl)propanamide
CID 19220434
N-[4-(1-methylimidazole-2-carbonyl)phenyl]-2-(5,6,7,8-tetrahydronaphthalen-2-yl)acetamide
CID 30970419
3,5-dimethyl-N-[4-(1-methylimidazole-2-carbonyl)phenyl]benzamide
CID 51187656
3-(3,4-dimethoxyphenyl)-N-[3-(1-methylimidazole-2-carbonyl)phenyl]propanamide
CID 71703575
N-[4-(1-methylimidazole-2-carbonyl)phenyl]pyridine-4-carboxamide
CID 17414915
2-(4-chlorophenyl)sulfanyl-N-[4-(1-methylimidazole-2-carbonyl)phenyl]acetamide
CID 18192837
6-methyl-N-[4-(1-methylimidazole-2-carbonyl)phenyl]pyridine-3-carboxamide
CID 18149133
N-(1-methyl-6-oxo-3-pyridinyl)-3-(4-methylphenyl)propanamide
CID 110725063
2-(4-ethylphenyl)-4-methyl-N-[4-(1-methylimidazole-2-carbonyl)phenyl]-1,3-thiazole-5-carboxamide
CID 24671584
5-(dithiolan-3-yl)-N-[4-(1-methylimidazole-2-carbonyl)phenyl]pentanamide
CID 102564787
5-[(3S)-dithiolan-3-yl]-N-[4-(1-methylimidazole-2-carbonyl)phenyl]pentanamide
CID 95044689

Frequently Asked Questions

What is the IUPAC name of N-[4-(1-methylimidazole-2-carbonyl)phenyl]-3-(4-methylphenyl)propanamide?
The IUPAC name of N-[4-(1-methylimidazole-2-carbonyl)phenyl]-3-(4-methylphenyl)propanamide (CID 24555609) is N-[4-(1-methylimidazole-2-carbonyl)phenyl]-3-(4-methylphenyl)propanamide.
What is the SMILES notation for N-[4-(1-methylimidazole-2-carbonyl)phenyl]-3-(4-methylphenyl)propanamide?
The canonical SMILES for N-[4-(1-methylimidazole-2-carbonyl)phenyl]-3-(4-methylphenyl)propanamide is Cc1ccc(CCC(=O)Nc2ccc(C(=O)c3nccn3C)cc2)cc1.
What is the InChIKey of N-[4-(1-methylimidazole-2-carbonyl)phenyl]-3-(4-methylphenyl)propanamide?
The InChIKey is ZRBWLHJQZFIIRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21N3O2/c1-15-3-5-16(6-4-15)7-12-19(25)23-18-10-8-17(9-11-18)20(26)21-22-13-14-24(21)2/h3-6,8-11,13-14H,7,12H2,1-2H3,(H,23,25).
What are the key properties of N-[4-(1-methylimidazole-2-carbonyl)phenyl]-3-(4-methylphenyl)propanamide?
N-[4-(1-methylimidazole-2-carbonyl)phenyl]-3-(4-methylphenyl)propanamide has a molecular weight of 347.42 g/mol, XLogP of 3.53, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(1-methylimidazole-2-carbonyl)phenyl]-3-(4-methylphenyl)propanamide is sourced from PubChem (CID 24555609), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).