N-[3-[(2-propan-2-ylimidazol-1-yl)methyl]phenyl]naphthalene-1-carboxamide

C24H23N3O — CID 55858949

IUPACN-[3-[(2-propan-2-ylimidazol-1-yl)methyl]phenyl]naphthalene-1-carboxamide
SMILESCC(C)c1nccn1Cc1cccc(NC(=O)c2cccc3ccccc23)c1
InChIInChI=1S/C24H23N3O/c1-17(2)23-25-13-14-27(23)16-18-7-5-10-20(15-18)26-24(28)22-12-6-9-19-8-3-4-11-21(19)22/h3-15,17H,16H2,1-2H3,(H,26,28)
InChIKeyAFWWARLJODGMHS-UHFFFAOYSA-N
MW369.47 g/mol
LogP5.46
Rot. Bonds5

About N-[3-[(2-propan-2-ylimidazol-1-yl)methyl]phenyl]naphthalene-1-carboxamide

N-[3-[(2-propan-2-ylimidazol-1-yl)methyl]phenyl]naphthalene-1-carboxamide (PubChem CID 55858949) has the molecular formula C24H23N3O and a molecular weight of 369.47 g/mol. Its IUPAC name is N-[3-[(2-propan-2-ylimidazol-1-yl)methyl]phenyl]naphthalene-1-carboxamide.

Molecular Properties

Compound NameN-[3-[(2-propan-2-ylimidazol-1-yl)methyl]phenyl]naphthalene-1-carboxamide
PubChem CID55858949
Molecular FormulaC24H23N3O
Molecular Weight369.47 g/mol
Exact Mass369.18
IUPAC NameN-[3-[(2-propan-2-ylimidazol-1-yl)methyl]phenyl]naphthalene-1-carboxamide
SMILESCC(C)c1nccn1Cc1cccc(NC(=O)c2cccc3ccccc23)c1
InChIInChI=1S/C24H23N3O/c1-17(2)23-25-13-14-27(23)16-18-7-5-10-20(15-18)26-24(28)22-12-6-9-19-8-3-4-11-21(19)22/h3-15,17H,16H2,1-2H3,(H,26,28)
InChIKeyAFWWARLJODGMHS-UHFFFAOYSA-N
XLogP5.46
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500369.47
LogP ≤ 55.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-nitro-N-[3-[(2-propan-2-ylimidazol-1-yl)methyl]phenyl]benzamide
CID 55859459
2,4-dichloro-N-[3-[(2-propan-2-ylimidazol-1-yl)methyl]phenyl]benzamide
CID 55859713
2-(methylamino)-N-[3-[(2-propan-2-ylimidazol-1-yl)methyl]phenyl]acetamide
CID 120703872
(2R)-2-amino-N-[3-[(2-propan-2-ylimidazol-1-yl)methyl]phenyl]propanamide;dihydrochloride
CID 119855817
2,3-dimethyl-N-[3-[(2-propan-2-ylimidazol-1-yl)methyl]phenyl]quinoxaline-6-carboxamide
CID 55857928
5-ethyl-N-[3-[(2-propan-2-ylimidazol-1-yl)methyl]phenyl]-1H-pyrazole-3-carboxamide
CID 78901705
(2S)-2-amino-4-methyl-N-[3-[(2-propan-2-ylimidazol-1-yl)methyl]phenyl]pentanamide
CID 119855852
1-[3-[(2-propan-2-ylimidazol-1-yl)methyl]phenyl]-3-[(4-pyrazol-1-ylphenyl)methyl]urea
CID 55808706
1-tert-butyl-5-propan-2-yl-N-[3-[(2-propan-2-ylimidazol-1-yl)methyl]phenyl]pyrazole-3-carboxamide
CID 55859731
1-methyl-6-oxo-N-[3-[(2-propan-2-ylimidazol-1-yl)methyl]phenyl]-4,5-dihydropyridazine-3-carboxamide
CID 47059179
1-(2-fluorophenyl)-N-[3-[(2-propan-2-ylimidazol-1-yl)methyl]phenyl]-5-(trifluoromethyl)pyrazole-4-carboxamide
CID 112843560
2-(2-methoxyethylamino)-N-[3-[(2-propan-2-ylimidazol-1-yl)methyl]phenyl]acetamide;dihydrochloride
CID 119855845

Frequently Asked Questions

What is the IUPAC name of N-[3-[(2-propan-2-ylimidazol-1-yl)methyl]phenyl]naphthalene-1-carboxamide?
The IUPAC name of N-[3-[(2-propan-2-ylimidazol-1-yl)methyl]phenyl]naphthalene-1-carboxamide (CID 55858949) is N-[3-[(2-propan-2-ylimidazol-1-yl)methyl]phenyl]naphthalene-1-carboxamide.
What is the SMILES notation for N-[3-[(2-propan-2-ylimidazol-1-yl)methyl]phenyl]naphthalene-1-carboxamide?
The canonical SMILES for N-[3-[(2-propan-2-ylimidazol-1-yl)methyl]phenyl]naphthalene-1-carboxamide is CC(C)c1nccn1Cc1cccc(NC(=O)c2cccc3ccccc23)c1.
What is the InChIKey of N-[3-[(2-propan-2-ylimidazol-1-yl)methyl]phenyl]naphthalene-1-carboxamide?
The InChIKey is AFWWARLJODGMHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23N3O/c1-17(2)23-25-13-14-27(23)16-18-7-5-10-20(15-18)26-24(28)22-12-6-9-19-8-3-4-11-21(19)22/h3-15,17H,16H2,1-2H3,(H,26,28).
What are the key properties of N-[3-[(2-propan-2-ylimidazol-1-yl)methyl]phenyl]naphthalene-1-carboxamide?
N-[3-[(2-propan-2-ylimidazol-1-yl)methyl]phenyl]naphthalene-1-carboxamide has a molecular weight of 369.47 g/mol, XLogP of 5.46, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[(2-propan-2-ylimidazol-1-yl)methyl]phenyl]naphthalene-1-carboxamide is sourced from PubChem (CID 55858949), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).