N-[3-(1-methylimidazole-2-carbonyl)phenyl]-3-pyrrol-1-ylpropanamide

C18H18N4O2 — CID 125433246

IUPACN-[3-(1-methylimidazole-2-carbonyl)phenyl]-3-pyrrol-1-ylpropanamide
SMILESCn1ccnc1C(=O)c1cccc(NC(=O)CCn2cccc2)c1
InChIInChI=1S/C18H18N4O2/c1-21-12-8-19-18(21)17(24)14-5-4-6-15(13-14)20-16(23)7-11-22-9-2-3-10-22/h2-6,8-10,12-13H,7,11H2,1H3,(H,20,23)
InChIKeyCUAXVFDNJKFTCT-UHFFFAOYSA-N
MW322.37 g/mol
LogP2.48
Rot. Bonds6

About N-[3-(1-methylimidazole-2-carbonyl)phenyl]-3-pyrrol-1-ylpropanamide

N-[3-(1-methylimidazole-2-carbonyl)phenyl]-3-pyrrol-1-ylpropanamide (PubChem CID 125433246) has the molecular formula C18H18N4O2 and a molecular weight of 322.37 g/mol. Its IUPAC name is N-[3-(1-methylimidazole-2-carbonyl)phenyl]-3-pyrrol-1-ylpropanamide.

Molecular Properties

Compound NameN-[3-(1-methylimidazole-2-carbonyl)phenyl]-3-pyrrol-1-ylpropanamide
PubChem CID125433246
Molecular FormulaC18H18N4O2
Molecular Weight322.37 g/mol
Exact Mass322.14
IUPAC NameN-[3-(1-methylimidazole-2-carbonyl)phenyl]-3-pyrrol-1-ylpropanamide
SMILESCn1ccnc1C(=O)c1cccc(NC(=O)CCn2cccc2)c1
InChIInChI=1S/C18H18N4O2/c1-21-12-8-19-18(21)17(24)14-5-4-6-15(13-14)20-16(23)7-11-22-9-2-3-10-22/h2-6,8-10,12-13H,7,11H2,1H3,(H,20,23)
InChIKeyCUAXVFDNJKFTCT-UHFFFAOYSA-N
XLogP2.48
TPSA68.92 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.37
LogP ≤ 52.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-(3,4-dimethoxyphenyl)-N-[3-(1-methylimidazole-2-carbonyl)phenyl]propanamide
CID 71703575
N-[3-(1-methylimidazole-2-carbonyl)phenyl]-4-(1-methylindol-3-yl)butanamide
CID 91639034
N-(3-acetamidophenyl)-3-pyrrol-1-ylpropanamide
CID 110688727
3-[(1-methylimidazole-2-carbonyl)amino]benzoic acid
CID 110467287
N-[3-(1-methylimidazole-2-carbonyl)phenyl]-N'-[(1R)-1-phenylethyl]oxamide
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2-[(4S)-2,5-dioxo-1-(2-phenylethyl)imidazolidin-4-yl]-N-[3-(1-methylimidazole-2-carbonyl)phenyl]acetamide
CID 75490431
N-ethyl-3-[[2-(1-methylimidazol-2-yl)sulfanylacetyl]amino]benzamide
CID 9200888
N-(2-bicyclo[2.2.1]hept-5-enylmethyl)-N'-[3-(1-methylimidazole-2-carbonyl)phenyl]oxamide
CID 51044200
N-(1,3-benzodioxol-5-ylmethyl)-N'-[3-(1-methylimidazole-2-carbonyl)phenyl]oxamide
CID 51043237
N-[4-(1-methylimidazole-2-carbonyl)phenyl]-3-(4-methylphenyl)propanamide
CID 24555609
(1-methylimidazol-2-yl)-[3-(trifluoromethyl)phenyl]methanone
CID 5303840
N-[4-(1-methylimidazole-2-carbonyl)phenyl]pyridine-4-carboxamide
CID 17414915

Frequently Asked Questions

What is the IUPAC name of N-[3-(1-methylimidazole-2-carbonyl)phenyl]-3-pyrrol-1-ylpropanamide?
The IUPAC name of N-[3-(1-methylimidazole-2-carbonyl)phenyl]-3-pyrrol-1-ylpropanamide (CID 125433246) is N-[3-(1-methylimidazole-2-carbonyl)phenyl]-3-pyrrol-1-ylpropanamide.
What is the SMILES notation for N-[3-(1-methylimidazole-2-carbonyl)phenyl]-3-pyrrol-1-ylpropanamide?
The canonical SMILES for N-[3-(1-methylimidazole-2-carbonyl)phenyl]-3-pyrrol-1-ylpropanamide is Cn1ccnc1C(=O)c1cccc(NC(=O)CCn2cccc2)c1.
What is the InChIKey of N-[3-(1-methylimidazole-2-carbonyl)phenyl]-3-pyrrol-1-ylpropanamide?
The InChIKey is CUAXVFDNJKFTCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N4O2/c1-21-12-8-19-18(21)17(24)14-5-4-6-15(13-14)20-16(23)7-11-22-9-2-3-10-22/h2-6,8-10,12-13H,7,11H2,1H3,(H,20,23).
What are the key properties of N-[3-(1-methylimidazole-2-carbonyl)phenyl]-3-pyrrol-1-ylpropanamide?
N-[3-(1-methylimidazole-2-carbonyl)phenyl]-3-pyrrol-1-ylpropanamide has a molecular weight of 322.37 g/mol, XLogP of 2.48, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(1-methylimidazole-2-carbonyl)phenyl]-3-pyrrol-1-ylpropanamide is sourced from PubChem (CID 125433246), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).