2-[4-methoxy-2-methyl-3-(2-methylphenyl)phenyl]-5-methyl-N-[3-(piperazine-1-carbonyl)phenyl]-1H-imidazole-4-carboxamide

C31H33N5O3 — CID 175376827

IUPAC2-[4-methoxy-2-methyl-3-(2-methylphenyl)phenyl]-5-methyl-N-[3-(piperazine-1-carbonyl)phenyl]-1H-imidazole-4-carboxamide
SMILESCOc1ccc(-c2nc(C(=O)Nc3cccc(C(=O)N4CCNCC4)c3)c(C)[nH]2)c(C)c1-c1ccccc1C
InChIInChI=1S/C31H33N5O3/c1-19-8-5-6-11-24(19)27-20(2)25(12-13-26(27)39-4)29-33-21(3)28(35-29)30(37)34-23-10-7-9-22(18-23)31(38)36-16-14-32-15-17-36/h5-13,18,32H,14-17H2,1-4H3,(H,33,35)(H,34,37)
InChIKeyZDKHAYNXSOAJRB-UHFFFAOYSA-N
MW523.64 g/mol
LogP4.98
Rot. Bonds6

About 2-[4-methoxy-2-methyl-3-(2-methylphenyl)phenyl]-5-methyl-N-[3-(piperazine-1-carbonyl)phenyl]-1H-imidazole-4-carboxamide

2-[4-methoxy-2-methyl-3-(2-methylphenyl)phenyl]-5-methyl-N-[3-(piperazine-1-carbonyl)phenyl]-1H-imidazole-4-carboxamide (PubChem CID 175376827) has the molecular formula C31H33N5O3 and a molecular weight of 523.64 g/mol. Its IUPAC name is 2-[4-methoxy-2-methyl-3-(2-methylphenyl)phenyl]-5-methyl-N-[3-(piperazine-1-carbonyl)phenyl]-1H-imidazole-4-carboxamide.

Molecular Properties

Compound Name2-[4-methoxy-2-methyl-3-(2-methylphenyl)phenyl]-5-methyl-N-[3-(piperazine-1-carbonyl)phenyl]-1H-imidazole-4-carboxamide
PubChem CID175376827
Molecular FormulaC31H33N5O3
Molecular Weight523.64 g/mol
Exact Mass523.26
IUPAC Name2-[4-methoxy-2-methyl-3-(2-methylphenyl)phenyl]-5-methyl-N-[3-(piperazine-1-carbonyl)phenyl]-1H-imidazole-4-carboxamide
SMILESCOc1ccc(-c2nc(C(=O)Nc3cccc(C(=O)N4CCNCC4)c3)c(C)[nH]2)c(C)c1-c1ccccc1C
InChIInChI=1S/C31H33N5O3/c1-19-8-5-6-11-24(19)27-20(2)25(12-13-26(27)39-4)29-33-21(3)28(35-29)30(37)34-23-10-7-9-22(18-23)31(38)36-16-14-32-15-17-36/h5-13,18,32H,14-17H2,1-4H3,(H,33,35)(H,34,37)
InChIKeyZDKHAYNXSOAJRB-UHFFFAOYSA-N
XLogP4.98
TPSA99.35 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms39
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500523.64
LogP ≤ 54.98
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

N-[3-(dimethylcarbamoyl)phenyl]-2-[4-methoxy-2-methyl-3-(2-methylphenyl)phenyl]-5-methyl-1H-imidazole-4-carboxamide
CID 175376734
N-(3-bromophenyl)-2-[4-methoxy-2-methyl-3-(2-methylphenyl)phenyl]-5-methyl-1H-imidazole-4-carboxamide
CID 175376809
N-[3-(1,1-difluoropropyl)phenyl]-2-[4-methoxy-2-methyl-3-(2-methylphenyl)-6-(2-phenylethyl)phenyl]-5-methyl-1H-imidazole-4-carboxamide
CID 175376789
3-[[2-(2-methylphenyl)-5-(2-phenylethenyl)-1H-imidazole-4-carbonyl]amino]benzoic acid
CID 174445101
[4-[[3-(1,1-difluoropropyl)phenyl]carbamoyl]-2-[4-methoxy-2-methyl-3-(2-methylphenyl)phenyl]-5-methylimidazol-1-yl]methyl dihydrogen phosphate
CID 175376762
2-methoxy-N-[3-(piperidine-1-carbonyl)phenyl]benzamide
CID 26168435
N-[3-(piperazine-1-carbonyl)phenyl]propanamide;hydrochloride
CID 119402184
3-methoxy-4-methyl-N-[3-(morpholine-4-carbonyl)phenyl]benzamide
CID 55748732
tert-butyl 4-[3-[[2-[3-(2,6-dimethylphenyl)-4-methoxyphenyl]-3-hydroxy-5-methylimidazole-4-carbonyl]amino]benzoyl]piperazine-1-carboxylate
CID 167525300
2-[6-chloro-4-fluoro-2-methyl-3-(2-methylphenyl)phenyl]-N-[3-[cyclopropyl(difluoro)methyl]phenyl]-5-methyl-1H-imidazole-4-carboxamide
CID 175376788
N-[3-(azepane-1-carbonyl)phenyl]-3-bromo-4-methoxybenzamide
CID 26159299
[3-(piperazine-1-carbonyl)phenyl]-piperazin-1-ylmethanone
CID 54070343

Frequently Asked Questions

What is the IUPAC name of 2-[4-methoxy-2-methyl-3-(2-methylphenyl)phenyl]-5-methyl-N-[3-(piperazine-1-carbonyl)phenyl]-1H-imidazole-4-carboxamide?
The IUPAC name of 2-[4-methoxy-2-methyl-3-(2-methylphenyl)phenyl]-5-methyl-N-[3-(piperazine-1-carbonyl)phenyl]-1H-imidazole-4-carboxamide (CID 175376827) is 2-[4-methoxy-2-methyl-3-(2-methylphenyl)phenyl]-5-methyl-N-[3-(piperazine-1-carbonyl)phenyl]-1H-imidazole-4-carboxamide.
What is the SMILES notation for 2-[4-methoxy-2-methyl-3-(2-methylphenyl)phenyl]-5-methyl-N-[3-(piperazine-1-carbonyl)phenyl]-1H-imidazole-4-carboxamide?
The canonical SMILES for 2-[4-methoxy-2-methyl-3-(2-methylphenyl)phenyl]-5-methyl-N-[3-(piperazine-1-carbonyl)phenyl]-1H-imidazole-4-carboxamide is COc1ccc(-c2nc(C(=O)Nc3cccc(C(=O)N4CCNCC4)c3)c(C)[nH]2)c(C)c1-c1ccccc1C.
What is the InChIKey of 2-[4-methoxy-2-methyl-3-(2-methylphenyl)phenyl]-5-methyl-N-[3-(piperazine-1-carbonyl)phenyl]-1H-imidazole-4-carboxamide?
The InChIKey is ZDKHAYNXSOAJRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H33N5O3/c1-19-8-5-6-11-24(19)27-20(2)25(12-13-26(27)39-4)29-33-21(3)28(35-29)30(37)34-23-10-7-9-22(18-23)31(38)36-16-14-32-15-17-36/h5-13,18,32H,14-17H2,1-4H3,(H,33,35)(H,34,37).
What are the key properties of 2-[4-methoxy-2-methyl-3-(2-methylphenyl)phenyl]-5-methyl-N-[3-(piperazine-1-carbonyl)phenyl]-1H-imidazole-4-carboxamide?
2-[4-methoxy-2-methyl-3-(2-methylphenyl)phenyl]-5-methyl-N-[3-(piperazine-1-carbonyl)phenyl]-1H-imidazole-4-carboxamide has a molecular weight of 523.64 g/mol, XLogP of 4.98, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-methoxy-2-methyl-3-(2-methylphenyl)phenyl]-5-methyl-N-[3-(piperazine-1-carbonyl)phenyl]-1H-imidazole-4-carboxamide is sourced from PubChem (CID 175376827), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).