N-[1-cyano-2-(2-oxopyrrolidin-3-yl)ethyl]-2-(cyclopropylmethyl)-4-(4-methoxy-1H-benzimidazol-2-yl)-4-oxobutanamide

C23H27N5O4 — CID 163614844

IUPACN-[1-cyano-2-(2-oxopyrrolidin-3-yl)ethyl]-2-(cyclopropylmethyl)-4-(4-methoxy-1H-benzimidazol-2-yl)-4-oxobutanamide
SMILESCOc1cccc2[nH]c(C(=O)CC(CC3CC3)C(=O)NC(C#N)CC3CCNC3=O)nc12
InChIInChI=1S/C23H27N5O4/c1-32-19-4-2-3-17-20(19)28-21(27-17)18(29)11-15(9-13-5-6-13)23(31)26-16(12-24)10-14-7-8-25-22(14)30/h2-4,13-16H,5-11H2,1H3,(H,25,30)(H,26,31)(H,27,28)
InChIKeyHJCCUGIQTPYKNK-UHFFFAOYSA-N
MW437.50 g/mol
LogP2.10
Rot. Bonds10

About N-[1-cyano-2-(2-oxopyrrolidin-3-yl)ethyl]-2-(cyclopropylmethyl)-4-(4-methoxy-1H-benzimidazol-2-yl)-4-oxobutanamide

N-[1-cyano-2-(2-oxopyrrolidin-3-yl)ethyl]-2-(cyclopropylmethyl)-4-(4-methoxy-1H-benzimidazol-2-yl)-4-oxobutanamide (PubChem CID 163614844) has the molecular formula C23H27N5O4 and a molecular weight of 437.50 g/mol. Its IUPAC name is N-[1-cyano-2-(2-oxopyrrolidin-3-yl)ethyl]-2-(cyclopropylmethyl)-4-(4-methoxy-1H-benzimidazol-2-yl)-4-oxobutanamide.

Molecular Properties

Compound NameN-[1-cyano-2-(2-oxopyrrolidin-3-yl)ethyl]-2-(cyclopropylmethyl)-4-(4-methoxy-1H-benzimidazol-2-yl)-4-oxobutanamide
PubChem CID163614844
Molecular FormulaC23H27N5O4
Molecular Weight437.50 g/mol
Exact Mass437.21
IUPAC NameN-[1-cyano-2-(2-oxopyrrolidin-3-yl)ethyl]-2-(cyclopropylmethyl)-4-(4-methoxy-1H-benzimidazol-2-yl)-4-oxobutanamide
SMILESCOc1cccc2[nH]c(C(=O)CC(CC3CC3)C(=O)NC(C#N)CC3CCNC3=O)nc12
InChIInChI=1S/C23H27N5O4/c1-32-19-4-2-3-17-20(19)28-21(27-17)18(29)11-15(9-13-5-6-13)23(31)26-16(12-24)10-14-7-8-25-22(14)30/h2-4,13-16H,5-11H2,1H3,(H,25,30)(H,26,31)(H,27,28)
InChIKeyHJCCUGIQTPYKNK-UHFFFAOYSA-N
XLogP2.10
TPSA136.97 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500437.50
LogP ≤ 52.10
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Analyze N-[1-cyano-2-(2-oxopyrrolidin-3-yl)ethyl]-2-(cyclopropylmethyl)-4-(4-methoxy-1H-benzimidazol-2-yl)-4-oxobutanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-(4-chloro-1H-benzimidazol-2-yl)-N-[1-cyano-2-(2-oxopyrrolidin-3-yl)ethyl]-2-(cyclopropylmethyl)-4-oxobutanamide
CID 163515913
(2R)-4-(5-chloro-4-methoxy-1H-benzimidazol-2-yl)-N-[(1S)-1-cyano-2-[(3S)-2-oxopyrrolidin-3-yl]ethyl]-2-(cyclopropylmethyl)-4-oxobutanamide
CID 163653006
N-[1-[[1-cyano-2-(2-oxopyrrolidin-3-yl)ethyl]amino]-3-cyclopropyl-1-oxopropan-2-yl]-7-methoxy-3H-imidazo[4,5-c]pyridine-2-carboxamide
CID 166494741
N-[1-cyano-2-(2-oxopyrrolidin-3-yl)ethyl]-2-(cyclopropylmethyl)-4-oxo-4-[4-(trifluoromethoxy)-1H-indol-2-yl]butanamide
CID 163616996
(2R)-2-[(3-chlorophenyl)methyl]-N-[(1S)-1-cyano-2-(2-oxopyrrolidin-3-yl)ethyl]-4-(4-methoxy-1H-indol-2-yl)-4-oxobutanamide
CID 163897200
N-[1-cyano-2-(2-oxopyrrolidin-3-yl)ethyl]-2-(2,3-dihydro-1H-inden-2-yl)-4-(4-methoxy-1H-indol-2-yl)-4-oxobutanamide
CID 162015316
(2R)-N-[(1S)-1-cyano-2-[(3S)-2-oxopyrrolidin-3-yl]ethyl]-2-[2-(4-methoxy-7-methyl-1H-indol-2-yl)-2-oxoethyl]-4,4-dimethylpentanamide
CID 163727095
(2R)-N-[(2S)-1-amino-1-oxo-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl]-2-[2-(1H-benzimidazol-2-yl)-2-oxoethyl]-4-methylpentanamide;1H-benzimidazole-2-carboxylic acid;(2R)-2-[2-(1H-benzimidazol-2-yl)-2-oxoethyl]-N-[(1S)-1-cyano-2-[(3S)-2-oxopyrrolidin-3-yl]ethyl]-4-methylpentanamide;methyl (2S)-2-[[(2S)-2-amino-4-methylpentanoyl]amino]-3-[(3S)-2-oxopyrrolidin-3-yl]propanoate;methyl (2S)-2-[[(2R)-2-[2-(1H-benzimidazol-2-yl)-2-oxoethyl]-4-methylpentanoyl]amino]-3-[(3S)-2-oxopyrrolidin-3-yl]propanoate
CID 158424338
N-[1-cyano-2-(2-oxopyrrolidin-3-yl)ethyl]-2-[2-[4-(difluoromethoxy)-1H-indol-2-yl]-2-oxoethyl]-4-methylpentanamide
CID 159682143
N-[(2S)-1-[[(1S)-1-cyano-2-[(3S)-2-oxopiperidin-3-yl]ethyl]amino]-3-cyclopropyl-1-oxopropan-2-yl]-1H-benzimidazole-2-carboxamide
CID 164544191
methyl (2S)-2-[[(2R)-2-[2-(1H-benzimidazol-2-yl)-2-oxoethyl]-4-methylpentanoyl]amino]-3-[(3S)-2-oxopyrrolidin-3-yl]propanoate
CID 158424341
N-[(1S)-2-[[(1S)-1-cyano-2-[(3S)-2-oxopyrrolidin-3-yl]ethyl]amino]-2-oxo-1-phenylethyl]-4-methoxy-1H-indole-2-carboxamide
CID 162778326

Frequently Asked Questions

What is the IUPAC name of N-[1-cyano-2-(2-oxopyrrolidin-3-yl)ethyl]-2-(cyclopropylmethyl)-4-(4-methoxy-1H-benzimidazol-2-yl)-4-oxobutanamide?
The IUPAC name of N-[1-cyano-2-(2-oxopyrrolidin-3-yl)ethyl]-2-(cyclopropylmethyl)-4-(4-methoxy-1H-benzimidazol-2-yl)-4-oxobutanamide (CID 163614844) is N-[1-cyano-2-(2-oxopyrrolidin-3-yl)ethyl]-2-(cyclopropylmethyl)-4-(4-methoxy-1H-benzimidazol-2-yl)-4-oxobutanamide.
What is the SMILES notation for N-[1-cyano-2-(2-oxopyrrolidin-3-yl)ethyl]-2-(cyclopropylmethyl)-4-(4-methoxy-1H-benzimidazol-2-yl)-4-oxobutanamide?
The canonical SMILES for N-[1-cyano-2-(2-oxopyrrolidin-3-yl)ethyl]-2-(cyclopropylmethyl)-4-(4-methoxy-1H-benzimidazol-2-yl)-4-oxobutanamide is COc1cccc2[nH]c(C(=O)CC(CC3CC3)C(=O)NC(C#N)CC3CCNC3=O)nc12.
What is the InChIKey of N-[1-cyano-2-(2-oxopyrrolidin-3-yl)ethyl]-2-(cyclopropylmethyl)-4-(4-methoxy-1H-benzimidazol-2-yl)-4-oxobutanamide?
The InChIKey is HJCCUGIQTPYKNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H27N5O4/c1-32-19-4-2-3-17-20(19)28-21(27-17)18(29)11-15(9-13-5-6-13)23(31)26-16(12-24)10-14-7-8-25-22(14)30/h2-4,13-16H,5-11H2,1H3,(H,25,30)(H,26,31)(H,27,28).
What are the key properties of N-[1-cyano-2-(2-oxopyrrolidin-3-yl)ethyl]-2-(cyclopropylmethyl)-4-(4-methoxy-1H-benzimidazol-2-yl)-4-oxobutanamide?
N-[1-cyano-2-(2-oxopyrrolidin-3-yl)ethyl]-2-(cyclopropylmethyl)-4-(4-methoxy-1H-benzimidazol-2-yl)-4-oxobutanamide has a molecular weight of 437.50 g/mol, XLogP of 2.10, 10 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-cyano-2-(2-oxopyrrolidin-3-yl)ethyl]-2-(cyclopropylmethyl)-4-(4-methoxy-1H-benzimidazol-2-yl)-4-oxobutanamide is sourced from PubChem (CID 163614844), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).