1-(2,3-dihydro-1H-inden-5-yl)-N-[(1-methylimidazol-2-yl)-phenylmethyl]-5-oxopyrrolidine-3-carboxamide

C25H26N4O2 — CID 46587285

IUPAC1-(2,3-dihydro-1H-inden-5-yl)-N-[(1-methylimidazol-2-yl)-phenylmethyl]-5-oxopyrrolidine-3-carboxamide
SMILESCn1ccnc1C(NC(=O)C1CC(=O)N(c2ccc3c(c2)CCC3)C1)c1ccccc1
InChIInChI=1S/C25H26N4O2/c1-28-13-12-26-24(28)23(18-6-3-2-4-7-18)27-25(31)20-15-22(30)29(16-20)21-11-10-17-8-5-9-19(17)14-21/h2-4,6-7,10-14,20,23H,5,8-9,15-16H2,1H3,(H,27,31)
InChIKeyMCGQXTVUCWJNFL-UHFFFAOYSA-N
MW414.51 g/mol
LogP3.17
Rot. Bonds5

About 1-(2,3-dihydro-1H-inden-5-yl)-N-[(1-methylimidazol-2-yl)-phenylmethyl]-5-oxopyrrolidine-3-carboxamide

1-(2,3-dihydro-1H-inden-5-yl)-N-[(1-methylimidazol-2-yl)-phenylmethyl]-5-oxopyrrolidine-3-carboxamide (PubChem CID 46587285) has the molecular formula C25H26N4O2 and a molecular weight of 414.51 g/mol. Its IUPAC name is 1-(2,3-dihydro-1H-inden-5-yl)-N-[(1-methylimidazol-2-yl)-phenylmethyl]-5-oxopyrrolidine-3-carboxamide.

Molecular Properties

Compound Name1-(2,3-dihydro-1H-inden-5-yl)-N-[(1-methylimidazol-2-yl)-phenylmethyl]-5-oxopyrrolidine-3-carboxamide
PubChem CID46587285
Molecular FormulaC25H26N4O2
Molecular Weight414.51 g/mol
Exact Mass414.21
IUPAC Name1-(2,3-dihydro-1H-inden-5-yl)-N-[(1-methylimidazol-2-yl)-phenylmethyl]-5-oxopyrrolidine-3-carboxamide
SMILESCn1ccnc1C(NC(=O)C1CC(=O)N(c2ccc3c(c2)CCC3)C1)c1ccccc1
InChIInChI=1S/C25H26N4O2/c1-28-13-12-26-24(28)23(18-6-3-2-4-7-18)27-25(31)20-15-22(30)29(16-20)21-11-10-17-8-5-9-19(17)14-21/h2-4,6-7,10-14,20,23H,5,8-9,15-16H2,1H3,(H,27,31)
InChIKeyMCGQXTVUCWJNFL-UHFFFAOYSA-N
XLogP3.17
TPSA67.23 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500414.51
LogP ≤ 53.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(2,3-dihydro-1H-inden-5-yl)-N-[(4-fluorophenyl)-(1-methylimidazol-2-yl)methyl]-5-oxopyrrolidine-3-carboxamide
CID 55575397
1-(2,3-dihydro-1H-inden-5-yl)-N-[(3-fluorophenyl)-(1-methylimidazol-2-yl)methyl]-5-oxopyrrolidine-3-carboxamide
CID 46588432
N-[(R)-(1-methylimidazol-2-yl)-phenylmethyl]cyclohexanecarboxamide
CID 25341826
(3R)-N-[(S)-(4-chlorophenyl)-(1-methylimidazol-2-yl)methyl]-1-methyl-5-oxopyrrolidine-3-carboxamide
CID 39490029
(3R)-1-(2,3-dihydro-1H-inden-5-yl)-N-(1-methylpiperidin-4-yl)-5-oxopyrrolidine-3-carboxamide
CID 94149551
N-[(2-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]-5-oxo-1-[3-(trifluoromethyl)phenyl]pyrrolidine-3-carboxamide
CID 42923282
1-(2,3-dihydro-1H-inden-5-yl)-N-methylsulfonyl-5-oxopyrrolidine-3-carboxamide
CID 146154255
(3S)-1-(2,3-dihydro-1H-inden-5-yl)-N-ethyl-5-oxopyrrolidine-3-carboxamide
CID 30838721
(3R)-N-[(1S)-1-(1H-benzimidazol-2-yl)ethyl]-1-(2,3-dihydro-1H-inden-5-yl)-5-oxopyrrolidine-3-carboxamide
CID 51935439
(3S)-N-[(1S)-1-(1H-benzimidazol-2-yl)ethyl]-1-(2,3-dihydro-1H-inden-5-yl)-5-oxopyrrolidine-3-carboxamide
CID 51935441
(3R)-N'-(cyclopropanecarbonyl)-1-(2,3-dihydro-1H-inden-5-yl)-5-oxopyrrolidine-3-carbohydrazide
CID 51983166
1-(4-methylphenyl)-5-oxo-N-[phenyl(pyridin-2-yl)methyl]pyrrolidine-3-carboxamide
CID 51152076

Frequently Asked Questions

What is the IUPAC name of 1-(2,3-dihydro-1H-inden-5-yl)-N-[(1-methylimidazol-2-yl)-phenylmethyl]-5-oxopyrrolidine-3-carboxamide?
The IUPAC name of 1-(2,3-dihydro-1H-inden-5-yl)-N-[(1-methylimidazol-2-yl)-phenylmethyl]-5-oxopyrrolidine-3-carboxamide (CID 46587285) is 1-(2,3-dihydro-1H-inden-5-yl)-N-[(1-methylimidazol-2-yl)-phenylmethyl]-5-oxopyrrolidine-3-carboxamide.
What is the SMILES notation for 1-(2,3-dihydro-1H-inden-5-yl)-N-[(1-methylimidazol-2-yl)-phenylmethyl]-5-oxopyrrolidine-3-carboxamide?
The canonical SMILES for 1-(2,3-dihydro-1H-inden-5-yl)-N-[(1-methylimidazol-2-yl)-phenylmethyl]-5-oxopyrrolidine-3-carboxamide is Cn1ccnc1C(NC(=O)C1CC(=O)N(c2ccc3c(c2)CCC3)C1)c1ccccc1.
What is the InChIKey of 1-(2,3-dihydro-1H-inden-5-yl)-N-[(1-methylimidazol-2-yl)-phenylmethyl]-5-oxopyrrolidine-3-carboxamide?
The InChIKey is MCGQXTVUCWJNFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H26N4O2/c1-28-13-12-26-24(28)23(18-6-3-2-4-7-18)27-25(31)20-15-22(30)29(16-20)21-11-10-17-8-5-9-19(17)14-21/h2-4,6-7,10-14,20,23H,5,8-9,15-16H2,1H3,(H,27,31).
What are the key properties of 1-(2,3-dihydro-1H-inden-5-yl)-N-[(1-methylimidazol-2-yl)-phenylmethyl]-5-oxopyrrolidine-3-carboxamide?
1-(2,3-dihydro-1H-inden-5-yl)-N-[(1-methylimidazol-2-yl)-phenylmethyl]-5-oxopyrrolidine-3-carboxamide has a molecular weight of 414.51 g/mol, XLogP of 3.17, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,3-dihydro-1H-inden-5-yl)-N-[(1-methylimidazol-2-yl)-phenylmethyl]-5-oxopyrrolidine-3-carboxamide is sourced from PubChem (CID 46587285), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).