N-[(4-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]-1H-pyrrole-2-carboxamide

C17H18N4O2 — CID 110429336

IUPACN-[(4-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]-1H-pyrrole-2-carboxamide
SMILESCOc1ccc(C(NC(=O)c2ccc[nH]2)c2nccn2C)cc1
InChIInChI=1S/C17H18N4O2/c1-21-11-10-19-16(21)15(12-5-7-13(23-2)8-6-12)20-17(22)14-4-3-9-18-14/h3-11,15,18H,1-2H3,(H,20,22)
InChIKeyLNDQQOGQICEINJ-UHFFFAOYSA-N
MW310.36 g/mol
LogP2.28
Rot. Bonds5

About N-[(4-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]-1H-pyrrole-2-carboxamide

N-[(4-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]-1H-pyrrole-2-carboxamide (PubChem CID 110429336) has the molecular formula C17H18N4O2 and a molecular weight of 310.36 g/mol. Its IUPAC name is N-[(4-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]-1H-pyrrole-2-carboxamide.

Molecular Properties

Compound NameN-[(4-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]-1H-pyrrole-2-carboxamide
PubChem CID110429336
Molecular FormulaC17H18N4O2
Molecular Weight310.36 g/mol
Exact Mass310.14
IUPAC NameN-[(4-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]-1H-pyrrole-2-carboxamide
SMILESCOc1ccc(C(NC(=O)c2ccc[nH]2)c2nccn2C)cc1
InChIInChI=1S/C17H18N4O2/c1-21-11-10-19-16(21)15(12-5-7-13(23-2)8-6-12)20-17(22)14-4-3-9-18-14/h3-11,15,18H,1-2H3,(H,20,22)
InChIKeyLNDQQOGQICEINJ-UHFFFAOYSA-N
XLogP2.28
TPSA71.94 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.36
LogP ≤ 52.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(4-acetamidophenyl)-(1-methylimidazol-2-yl)methyl]-1H-pyrrole-2-carboxamide
CID 110429495
N-[(4-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]-4-phenylbenzamide
CID 46529258
N-[(4-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]propanamide
CID 46528475
3-[(4-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]-1,1-dimethylurea
CID 110429250
N-[(4-fluorophenyl)-(1-methylimidazol-2-yl)methyl]-3,5-dimethoxybenzamide
CID 46631561
3,4-dimethoxy-N-[(4-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]benzamide
CID 46528524
N-[(4-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]-6-methylpyridine-3-carboxamide
CID 46451083
4-benzamido-N-[(4-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]benzamide
CID 46537794
N-[(4-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]cyclobutanecarboxamide
CID 46528505
N-[(4-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]-3-phenylpropanamide
CID 42924338
N-[(4-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]-4-(trifluoromethylsulfonyl)benzamide
CID 46569284
3-methoxy-N-[(1-methylimidazol-2-yl)-phenylmethyl]benzamide
CID 51259902

Frequently Asked Questions

What is the IUPAC name of N-[(4-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]-1H-pyrrole-2-carboxamide?
The IUPAC name of N-[(4-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]-1H-pyrrole-2-carboxamide (CID 110429336) is N-[(4-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]-1H-pyrrole-2-carboxamide.
What is the SMILES notation for N-[(4-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]-1H-pyrrole-2-carboxamide?
The canonical SMILES for N-[(4-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]-1H-pyrrole-2-carboxamide is COc1ccc(C(NC(=O)c2ccc[nH]2)c2nccn2C)cc1.
What is the InChIKey of N-[(4-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]-1H-pyrrole-2-carboxamide?
The InChIKey is LNDQQOGQICEINJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N4O2/c1-21-11-10-19-16(21)15(12-5-7-13(23-2)8-6-12)20-17(22)14-4-3-9-18-14/h3-11,15,18H,1-2H3,(H,20,22).
What are the key properties of N-[(4-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]-1H-pyrrole-2-carboxamide?
N-[(4-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]-1H-pyrrole-2-carboxamide has a molecular weight of 310.36 g/mol, XLogP of 2.28, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]-1H-pyrrole-2-carboxamide is sourced from PubChem (CID 110429336), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).