2-[2-[1-(2,5-dimethylphenyl)-5-oxopyrrolidin-3-yl]benzimidazol-1-yl]-N,N-di(propan-2-yl)acetamide

C27H34N4O2 — CID 17003086

IUPAC2-[2-[1-(2,5-dimethylphenyl)-5-oxopyrrolidin-3-yl]benzimidazol-1-yl]-N,N-di(propan-2-yl)acetamide
SMILESCc1ccc(C)c(N2CC(c3nc4ccccc4n3CC(=O)N(C(C)C)C(C)C)CC2=O)c1
InChIInChI=1S/C27H34N4O2/c1-17(2)31(18(3)4)26(33)16-30-23-10-8-7-9-22(23)28-27(30)21-14-25(32)29(15-21)24-13-19(5)11-12-20(24)6/h7-13,17-18,21H,14-16H2,1-6H3
InChIKeyPCGUZTJPDUGTPX-UHFFFAOYSA-N
MW446.60 g/mol
LogP4.82
Rot. Bonds6

About 2-[2-[1-(2,5-dimethylphenyl)-5-oxopyrrolidin-3-yl]benzimidazol-1-yl]-N,N-di(propan-2-yl)acetamide

2-[2-[1-(2,5-dimethylphenyl)-5-oxopyrrolidin-3-yl]benzimidazol-1-yl]-N,N-di(propan-2-yl)acetamide (PubChem CID 17003086) has the molecular formula C27H34N4O2 and a molecular weight of 446.60 g/mol. Its IUPAC name is 2-[2-[1-(2,5-dimethylphenyl)-5-oxopyrrolidin-3-yl]benzimidazol-1-yl]-N,N-di(propan-2-yl)acetamide.

Molecular Properties

Compound Name2-[2-[1-(2,5-dimethylphenyl)-5-oxopyrrolidin-3-yl]benzimidazol-1-yl]-N,N-di(propan-2-yl)acetamide
PubChem CID17003086
Molecular FormulaC27H34N4O2
Molecular Weight446.60 g/mol
Exact Mass446.27
IUPAC Name2-[2-[1-(2,5-dimethylphenyl)-5-oxopyrrolidin-3-yl]benzimidazol-1-yl]-N,N-di(propan-2-yl)acetamide
SMILESCc1ccc(C)c(N2CC(c3nc4ccccc4n3CC(=O)N(C(C)C)C(C)C)CC2=O)c1
InChIInChI=1S/C27H34N4O2/c1-17(2)31(18(3)4)26(33)16-30-23-10-8-7-9-22(23)28-27(30)21-14-25(32)29(15-21)24-13-19(5)11-12-20(24)6/h7-13,17-18,21H,14-16H2,1-6H3
InChIKeyPCGUZTJPDUGTPX-UHFFFAOYSA-N
XLogP4.82
TPSA58.44 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500446.60
LogP ≤ 54.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-[2-[1-(2,5-dimethylphenyl)-5-oxopyrrolidin-3-yl]benzimidazol-1-yl]-N,N-bis(prop-2-enyl)acetamide
CID 17003088
1-(2,5-dimethylphenyl)-4-(1-phenacylbenzimidazol-2-yl)pyrrolidin-2-one
CID 17003107
2-[2-[(3R)-1-(2,6-dimethylphenyl)-5-oxopyrrolidin-3-yl]benzimidazol-1-yl]-N,N-di(propan-2-yl)acetamide
CID 26864431
1-(2,5-dimethylphenyl)-4-(1-ethylbenzimidazol-2-yl)pyrrolidin-2-one
CID 4753906
(4R)-1-(2,5-dimethylphenyl)-4-(1-prop-2-enylbenzimidazol-2-yl)pyrrolidin-2-one
CID 6941306
(4S)-1-(2,5-dimethylphenyl)-4-[1-(2-phenylethyl)benzimidazol-2-yl]pyrrolidin-2-one
CID 51430290
2-[2-[1-(3-bromophenyl)-5-oxopyrrolidin-3-yl]benzimidazol-1-yl]-N,N-di(propan-2-yl)acetamide
CID 19242638
N-benzyl-2-[2-[1-(2,6-dimethylphenyl)-5-oxopyrrolidin-3-yl]benzimidazol-1-yl]-N-propan-2-ylacetamide
CID 17003258
2-[2-[(3R)-1-(3-methylphenyl)-5-oxopyrrolidin-3-yl]benzimidazol-1-yl]-N,N-bis(2-methylpropyl)acetamide
CID 42387120
N,N-diethyl-2-[2-[1-(4-methylphenyl)-5-oxopyrrolidin-3-yl]benzimidazol-1-yl]acetamide
CID 17004510
N-benzyl-2-[2-[1-(2-bromophenyl)-5-oxopyrrolidin-3-yl]benzimidazol-1-yl]-N-propan-2-ylacetamide
CID 17003405
(4R)-1-(2,5-dimethylphenyl)-4-[1-(3-phenoxypropyl)benzimidazol-2-yl]pyrrolidin-2-one
CID 40812682

Frequently Asked Questions

What is the IUPAC name of 2-[2-[1-(2,5-dimethylphenyl)-5-oxopyrrolidin-3-yl]benzimidazol-1-yl]-N,N-di(propan-2-yl)acetamide?
The IUPAC name of 2-[2-[1-(2,5-dimethylphenyl)-5-oxopyrrolidin-3-yl]benzimidazol-1-yl]-N,N-di(propan-2-yl)acetamide (CID 17003086) is 2-[2-[1-(2,5-dimethylphenyl)-5-oxopyrrolidin-3-yl]benzimidazol-1-yl]-N,N-di(propan-2-yl)acetamide.
What is the SMILES notation for 2-[2-[1-(2,5-dimethylphenyl)-5-oxopyrrolidin-3-yl]benzimidazol-1-yl]-N,N-di(propan-2-yl)acetamide?
The canonical SMILES for 2-[2-[1-(2,5-dimethylphenyl)-5-oxopyrrolidin-3-yl]benzimidazol-1-yl]-N,N-di(propan-2-yl)acetamide is Cc1ccc(C)c(N2CC(c3nc4ccccc4n3CC(=O)N(C(C)C)C(C)C)CC2=O)c1.
What is the InChIKey of 2-[2-[1-(2,5-dimethylphenyl)-5-oxopyrrolidin-3-yl]benzimidazol-1-yl]-N,N-di(propan-2-yl)acetamide?
The InChIKey is PCGUZTJPDUGTPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H34N4O2/c1-17(2)31(18(3)4)26(33)16-30-23-10-8-7-9-22(23)28-27(30)21-14-25(32)29(15-21)24-13-19(5)11-12-20(24)6/h7-13,17-18,21H,14-16H2,1-6H3.
What are the key properties of 2-[2-[1-(2,5-dimethylphenyl)-5-oxopyrrolidin-3-yl]benzimidazol-1-yl]-N,N-di(propan-2-yl)acetamide?
2-[2-[1-(2,5-dimethylphenyl)-5-oxopyrrolidin-3-yl]benzimidazol-1-yl]-N,N-di(propan-2-yl)acetamide has a molecular weight of 446.60 g/mol, XLogP of 4.82, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[1-(2,5-dimethylphenyl)-5-oxopyrrolidin-3-yl]benzimidazol-1-yl]-N,N-di(propan-2-yl)acetamide is sourced from PubChem (CID 17003086), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).