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

C18H19N5O2 — CID 110429495

IUPACN-[(4-acetamidophenyl)-(1-methylimidazol-2-yl)methyl]-1H-pyrrole-2-carboxamide
SMILESCC(=O)Nc1ccc(C(NC(=O)c2ccc[nH]2)c2nccn2C)cc1
InChIInChI=1S/C18H19N5O2/c1-12(24)21-14-7-5-13(6-8-14)16(17-20-10-11-23(17)2)22-18(25)15-4-3-9-19-15/h3-11,16,19H,1-2H3,(H,21,24)(H,22,25)
InChIKeyWMGHMCHUAIPDAA-UHFFFAOYSA-N
MW337.38 g/mol
LogP2.23
Rot. Bonds5

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

N-[(4-acetamidophenyl)-(1-methylimidazol-2-yl)methyl]-1H-pyrrole-2-carboxamide (PubChem CID 110429495) has the molecular formula C18H19N5O2 and a molecular weight of 337.38 g/mol. Its IUPAC name is N-[(4-acetamidophenyl)-(1-methylimidazol-2-yl)methyl]-1H-pyrrole-2-carboxamide.

Molecular Properties

Compound NameN-[(4-acetamidophenyl)-(1-methylimidazol-2-yl)methyl]-1H-pyrrole-2-carboxamide
PubChem CID110429495
Molecular FormulaC18H19N5O2
Molecular Weight337.38 g/mol
Exact Mass337.15
IUPAC NameN-[(4-acetamidophenyl)-(1-methylimidazol-2-yl)methyl]-1H-pyrrole-2-carboxamide
SMILESCC(=O)Nc1ccc(C(NC(=O)c2ccc[nH]2)c2nccn2C)cc1
InChIInChI=1S/C18H19N5O2/c1-12(24)21-14-7-5-13(6-8-14)16(17-20-10-11-23(17)2)22-18(25)15-4-3-9-19-15/h3-11,16,19H,1-2H3,(H,21,24)(H,22,25)
InChIKeyWMGHMCHUAIPDAA-UHFFFAOYSA-N
XLogP2.23
TPSA91.81 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.38
LogP ≤ 52.23
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(4-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]-1H-pyrrole-2-carboxamide
CID 110429336
4-[[(4-acetamidophenyl)-(1-methylimidazol-2-yl)methyl]amino]-4-oxobutanoic acid
CID 110429545
1-[(S)-(4-fluorophenyl)-(1-methylimidazol-2-yl)methyl]-3-(4-methylphenyl)urea
CID 25358086
4-benzamido-N-[(4-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]benzamide
CID 46537794
N-[(4-fluorophenyl)-(1-methylimidazol-2-yl)methyl]-1H-indole-2-carboxamide
CID 46513330
3,5-dichloro-N-[(4-fluorophenyl)-(1-methylimidazol-2-yl)methyl]benzamide
CID 46512997
1-[(4-chlorophenyl)-(1-methylimidazol-2-yl)methyl]-3-(3,4-dichlorophenyl)urea
CID 24612413
3,5-difluoro-N-[(1-methylimidazol-2-yl)-phenylmethyl]benzamide
CID 17495226
3,5-dichloro-N-[(R)-(1-methylimidazol-2-yl)-phenylmethyl]benzamide
CID 40809427
N-[(1-methylimidazol-2-yl)-(4-methylphenyl)methyl]pyridine-4-carboxamide
CID 110429323
N-[(4-fluorophenyl)-(1-methylimidazol-2-yl)methyl]-4-iodobenzamide
CID 46685190
4-N-[(4-fluorophenyl)-(1-methylimidazol-2-yl)methyl]benzene-1,4-dicarboxamide
CID 51272974

Frequently Asked Questions

What is the IUPAC name of N-[(4-acetamidophenyl)-(1-methylimidazol-2-yl)methyl]-1H-pyrrole-2-carboxamide?
The IUPAC name of N-[(4-acetamidophenyl)-(1-methylimidazol-2-yl)methyl]-1H-pyrrole-2-carboxamide (CID 110429495) is N-[(4-acetamidophenyl)-(1-methylimidazol-2-yl)methyl]-1H-pyrrole-2-carboxamide.
What is the SMILES notation for N-[(4-acetamidophenyl)-(1-methylimidazol-2-yl)methyl]-1H-pyrrole-2-carboxamide?
The canonical SMILES for N-[(4-acetamidophenyl)-(1-methylimidazol-2-yl)methyl]-1H-pyrrole-2-carboxamide is CC(=O)Nc1ccc(C(NC(=O)c2ccc[nH]2)c2nccn2C)cc1.
What is the InChIKey of N-[(4-acetamidophenyl)-(1-methylimidazol-2-yl)methyl]-1H-pyrrole-2-carboxamide?
The InChIKey is WMGHMCHUAIPDAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N5O2/c1-12(24)21-14-7-5-13(6-8-14)16(17-20-10-11-23(17)2)22-18(25)15-4-3-9-19-15/h3-11,16,19H,1-2H3,(H,21,24)(H,22,25).
What are the key properties of N-[(4-acetamidophenyl)-(1-methylimidazol-2-yl)methyl]-1H-pyrrole-2-carboxamide?
N-[(4-acetamidophenyl)-(1-methylimidazol-2-yl)methyl]-1H-pyrrole-2-carboxamide has a molecular weight of 337.38 g/mol, XLogP of 2.23, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-acetamidophenyl)-(1-methylimidazol-2-yl)methyl]-1H-pyrrole-2-carboxamide is sourced from PubChem (CID 110429495), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).