3-[3-(3,4-dimethoxyphenyl)phenyl]-N-pentan-3-ylimidazole-4-carboxamide

C23H27N3O3 — CID 46101308

IUPAC3-[3-(3,4-dimethoxyphenyl)phenyl]-N-pentan-3-ylimidazole-4-carboxamide
SMILESCCC(CC)NC(=O)c1cncn1-c1cccc(-c2ccc(OC)c(OC)c2)c1
InChIInChI=1S/C23H27N3O3/c1-5-18(6-2)25-23(27)20-14-24-15-26(20)19-9-7-8-16(12-19)17-10-11-21(28-3)22(13-17)29-4/h7-15,18H,5-6H2,1-4H3,(H,25,27)
InChIKeyFPDYZDCSJKEHBX-UHFFFAOYSA-N
MW393.49 g/mol
LogP4.47
Rot. Bonds8

About 3-[3-(3,4-dimethoxyphenyl)phenyl]-N-pentan-3-ylimidazole-4-carboxamide

3-[3-(3,4-dimethoxyphenyl)phenyl]-N-pentan-3-ylimidazole-4-carboxamide (PubChem CID 46101308) has the molecular formula C23H27N3O3 and a molecular weight of 393.49 g/mol. Its IUPAC name is 3-[3-(3,4-dimethoxyphenyl)phenyl]-N-pentan-3-ylimidazole-4-carboxamide.

Molecular Properties

Compound Name3-[3-(3,4-dimethoxyphenyl)phenyl]-N-pentan-3-ylimidazole-4-carboxamide
PubChem CID46101308
Molecular FormulaC23H27N3O3
Molecular Weight393.49 g/mol
Exact Mass393.21
IUPAC Name3-[3-(3,4-dimethoxyphenyl)phenyl]-N-pentan-3-ylimidazole-4-carboxamide
SMILESCCC(CC)NC(=O)c1cncn1-c1cccc(-c2ccc(OC)c(OC)c2)c1
InChIInChI=1S/C23H27N3O3/c1-5-18(6-2)25-23(27)20-14-24-15-26(20)19-9-7-8-16(12-19)17-10-11-21(28-3)22(13-17)29-4/h7-15,18H,5-6H2,1-4H3,(H,25,27)
InChIKeyFPDYZDCSJKEHBX-UHFFFAOYSA-N
XLogP4.47
TPSA65.38 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.49
LogP ≤ 54.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-[3-(5-chloro-2-methoxyphenyl)phenyl]-N-heptan-4-ylimidazole-4-carboxamide
CID 46102860
N-[(2-bromophenyl)methyl]-3-[3-(3,4-dimethoxyphenyl)phenyl]imidazole-4-carboxamide
CID 46103186
3-[3-(3,4-dimethoxyphenyl)phenyl]-N-[3-[(2S)-2-ethylhexoxy]propyl]imidazole-4-carboxamide
CID 92771062
N-(1-methoxybutan-2-yl)-3-[3-[2-(trifluoromethyl)phenyl]phenyl]imidazole-4-carboxamide
CID 46081579
N-[(2S)-1-hydroxybutan-2-yl]-3-phenylimidazole-4-carboxamide
CID 93033612
3-[3-(3,4-dimethoxyphenyl)phenyl]-N-[(1S,5R)-3,3,5-trimethylcyclohexyl]imidazole-4-carboxamide
CID 92770866
3-[4-(3,5-dimethylphenyl)phenyl]-N-[(2S)-1-methoxybutan-2-yl]imidazole-4-carboxamide
CID 92767327
3-[3-(5-chloro-2-methoxyphenyl)phenyl]-N-[(2,6-difluorophenyl)methyl]imidazole-4-carboxamide
CID 46102849
N-(5-methylhexan-2-yl)-3-[3-[3-(trifluoromethoxy)phenyl]phenyl]imidazole-4-carboxamide
CID 46102853
3-[3-(3-chlorophenyl)phenyl]-N-(4-phenylbutan-2-yl)imidazole-4-carboxamide
CID 46102836
methyl (2S)-2-[(3-phenylimidazole-4-carbonyl)amino]propanoate
CID 87040197
N-[2-(4-methoxyphenoxy)ethyl]-3-[3-(4-phenoxyphenyl)phenyl]imidazole-4-carboxamide
CID 46103109

Frequently Asked Questions

What is the IUPAC name of 3-[3-(3,4-dimethoxyphenyl)phenyl]-N-pentan-3-ylimidazole-4-carboxamide?
The IUPAC name of 3-[3-(3,4-dimethoxyphenyl)phenyl]-N-pentan-3-ylimidazole-4-carboxamide (CID 46101308) is 3-[3-(3,4-dimethoxyphenyl)phenyl]-N-pentan-3-ylimidazole-4-carboxamide.
What is the SMILES notation for 3-[3-(3,4-dimethoxyphenyl)phenyl]-N-pentan-3-ylimidazole-4-carboxamide?
The canonical SMILES for 3-[3-(3,4-dimethoxyphenyl)phenyl]-N-pentan-3-ylimidazole-4-carboxamide is CCC(CC)NC(=O)c1cncn1-c1cccc(-c2ccc(OC)c(OC)c2)c1.
What is the InChIKey of 3-[3-(3,4-dimethoxyphenyl)phenyl]-N-pentan-3-ylimidazole-4-carboxamide?
The InChIKey is FPDYZDCSJKEHBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H27N3O3/c1-5-18(6-2)25-23(27)20-14-24-15-26(20)19-9-7-8-16(12-19)17-10-11-21(28-3)22(13-17)29-4/h7-15,18H,5-6H2,1-4H3,(H,25,27).
What are the key properties of 3-[3-(3,4-dimethoxyphenyl)phenyl]-N-pentan-3-ylimidazole-4-carboxamide?
3-[3-(3,4-dimethoxyphenyl)phenyl]-N-pentan-3-ylimidazole-4-carboxamide has a molecular weight of 393.49 g/mol, XLogP of 4.47, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-(3,4-dimethoxyphenyl)phenyl]-N-pentan-3-ylimidazole-4-carboxamide is sourced from PubChem (CID 46101308), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).