3-ethyl-N-[(3-methoxyphenyl)methyl]-5-naphthalen-2-yl-2-phenylimidazole-4-carboxamide

C30H27N3O2 — CID 143076269

IUPAC3-ethyl-N-[(3-methoxyphenyl)methyl]-5-naphthalen-2-yl-2-phenylimidazole-4-carboxamide
SMILESCCn1c(-c2ccccc2)nc(-c2ccc3ccccc3c2)c1C(=O)NCc1cccc(OC)c1
InChIInChI=1S/C30H27N3O2/c1-3-33-28(30(34)31-20-21-10-9-15-26(18-21)35-2)27(32-29(33)23-12-5-4-6-13-23)25-17-16-22-11-7-8-14-24(22)19-25/h4-19H,3,20H2,1-2H3,(H,31,34)
InChIKeyHKAZSSBCITVDSK-UHFFFAOYSA-N
MW461.57 g/mol
LogP6.33
Rot. Bonds7

About 3-ethyl-N-[(3-methoxyphenyl)methyl]-5-naphthalen-2-yl-2-phenylimidazole-4-carboxamide

3-ethyl-N-[(3-methoxyphenyl)methyl]-5-naphthalen-2-yl-2-phenylimidazole-4-carboxamide (PubChem CID 143076269) has the molecular formula C30H27N3O2 and a molecular weight of 461.57 g/mol. Its IUPAC name is 3-ethyl-N-[(3-methoxyphenyl)methyl]-5-naphthalen-2-yl-2-phenylimidazole-4-carboxamide.

Molecular Properties

Compound Name3-ethyl-N-[(3-methoxyphenyl)methyl]-5-naphthalen-2-yl-2-phenylimidazole-4-carboxamide
PubChem CID143076269
Molecular FormulaC30H27N3O2
Molecular Weight461.57 g/mol
Exact Mass461.21
IUPAC Name3-ethyl-N-[(3-methoxyphenyl)methyl]-5-naphthalen-2-yl-2-phenylimidazole-4-carboxamide
SMILESCCn1c(-c2ccccc2)nc(-c2ccc3ccccc3c2)c1C(=O)NCc1cccc(OC)c1
InChIInChI=1S/C30H27N3O2/c1-3-33-28(30(34)31-20-21-10-9-15-26(18-21)35-2)27(32-29(33)23-12-5-4-6-13-23)25-17-16-22-11-7-8-14-24(22)19-25/h4-19H,3,20H2,1-2H3,(H,31,34)
InChIKeyHKAZSSBCITVDSK-UHFFFAOYSA-N
XLogP6.33
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500461.57
LogP ≤ 56.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-ethyl-5-(4-fluoro-3-methylphenyl)-N-[(1R)-1-(3-methoxyphenyl)ethyl]-2-phenylimidazole-4-carboxamide;molecular hydrogen
CID 161037004
N-[(3-methoxyphenyl)methyl]-2-naphthalen-1-ylacetamide
CID 2086540
N-[(3-methoxyphenyl)methyl]-2-(5-oxo-3-phenyl-1,2,4-oxadiazol-4-yl)acetamide
CID 49153048
3-hydroxy-N-[(3-methoxyphenyl)methyl]naphthalene-2-carboxamide
CID 27231686
6-[(3-methoxyphenyl)methylcarbamoyl]pyridine-2-carboxylic acid
CID 61028665
3-(4-methoxyphenyl)-N-[(3-methoxyphenyl)methyl]-1,2-thiazole-5-carboxamide
CID 53169243
5-(4-methoxyphenyl)-N-[(3-methoxyphenyl)methyl]-1,3-oxazole-4-carboxamide
CID 20963569
N-[(3-methoxyphenyl)methyl]-1-methylindazole-3-carboxamide
CID 71822195
2-[[4-(2-methoxyethyl)-5-phenyl-1,2,4-triazol-3-yl]sulfanyl]-N-[(3-methoxyphenyl)methyl]acetamide
CID 33018585
N-benzyl-2-[[4-ethyl-5-(3-methoxyphenyl)-1,2,4-triazol-3-yl]sulfanyl]acetamide
CID 6500683
N-[(3-methoxyphenyl)methyl]-2-(4-phenylphenoxy)acetamide
CID 9495681
4-[(3-methoxyphenyl)methylcarbamoyl]benzoic acid
CID 61028664

Frequently Asked Questions

What is the IUPAC name of 3-ethyl-N-[(3-methoxyphenyl)methyl]-5-naphthalen-2-yl-2-phenylimidazole-4-carboxamide?
The IUPAC name of 3-ethyl-N-[(3-methoxyphenyl)methyl]-5-naphthalen-2-yl-2-phenylimidazole-4-carboxamide (CID 143076269) is 3-ethyl-N-[(3-methoxyphenyl)methyl]-5-naphthalen-2-yl-2-phenylimidazole-4-carboxamide.
What is the SMILES notation for 3-ethyl-N-[(3-methoxyphenyl)methyl]-5-naphthalen-2-yl-2-phenylimidazole-4-carboxamide?
The canonical SMILES for 3-ethyl-N-[(3-methoxyphenyl)methyl]-5-naphthalen-2-yl-2-phenylimidazole-4-carboxamide is CCn1c(-c2ccccc2)nc(-c2ccc3ccccc3c2)c1C(=O)NCc1cccc(OC)c1.
What is the InChIKey of 3-ethyl-N-[(3-methoxyphenyl)methyl]-5-naphthalen-2-yl-2-phenylimidazole-4-carboxamide?
The InChIKey is HKAZSSBCITVDSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H27N3O2/c1-3-33-28(30(34)31-20-21-10-9-15-26(18-21)35-2)27(32-29(33)23-12-5-4-6-13-23)25-17-16-22-11-7-8-14-24(22)19-25/h4-19H,3,20H2,1-2H3,(H,31,34).
What are the key properties of 3-ethyl-N-[(3-methoxyphenyl)methyl]-5-naphthalen-2-yl-2-phenylimidazole-4-carboxamide?
3-ethyl-N-[(3-methoxyphenyl)methyl]-5-naphthalen-2-yl-2-phenylimidazole-4-carboxamide has a molecular weight of 461.57 g/mol, XLogP of 6.33, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-N-[(3-methoxyphenyl)methyl]-5-naphthalen-2-yl-2-phenylimidazole-4-carboxamide is sourced from PubChem (CID 143076269), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).