1,2-dimethyl-N-[(1S)-2-(2-oxopyrrolidin-1-yl)-1-phenylethyl]benzimidazole-5-carboxamide

C22H24N4O2 — CID 95139049

IUPAC1,2-dimethyl-N-[(1S)-2-(2-oxopyrrolidin-1-yl)-1-phenylethyl]benzimidazole-5-carboxamide
SMILESCc1nc2cc(C(=O)N[C@H](CN3CCCC3=O)c3ccccc3)ccc2n1C
InChIInChI=1S/C22H24N4O2/c1-15-23-18-13-17(10-11-20(18)25(15)2)22(28)24-19(16-7-4-3-5-8-16)14-26-12-6-9-21(26)27/h3-5,7-8,10-11,13,19H,6,9,12,14H2,1-2H3,(H,24,28)/t19-/m1/s1
InChIKeyWBGJKGJBOQZFTF-LJQANCHMSA-N
MW376.46 g/mol
LogP2.98
Rot. Bonds5

About 1,2-dimethyl-N-[(1S)-2-(2-oxopyrrolidin-1-yl)-1-phenylethyl]benzimidazole-5-carboxamide

1,2-dimethyl-N-[(1S)-2-(2-oxopyrrolidin-1-yl)-1-phenylethyl]benzimidazole-5-carboxamide (PubChem CID 95139049) has the molecular formula C22H24N4O2 and a molecular weight of 376.46 g/mol. Its IUPAC name is 1,2-dimethyl-N-[(1S)-2-(2-oxopyrrolidin-1-yl)-1-phenylethyl]benzimidazole-5-carboxamide.

Molecular Properties

Compound Name1,2-dimethyl-N-[(1S)-2-(2-oxopyrrolidin-1-yl)-1-phenylethyl]benzimidazole-5-carboxamide
PubChem CID95139049
Molecular FormulaC22H24N4O2
Molecular Weight376.46 g/mol
Exact Mass376.19
IUPAC Name1,2-dimethyl-N-[(1S)-2-(2-oxopyrrolidin-1-yl)-1-phenylethyl]benzimidazole-5-carboxamide
SMILESCc1nc2cc(C(=O)N[C@H](CN3CCCC3=O)c3ccccc3)ccc2n1C
InChIInChI=1S/C22H24N4O2/c1-15-23-18-13-17(10-11-20(18)25(15)2)22(28)24-19(16-7-4-3-5-8-16)14-26-12-6-9-21(26)27/h3-5,7-8,10-11,13,19H,6,9,12,14H2,1-2H3,(H,24,28)/t19-/m1/s1
InChIKeyWBGJKGJBOQZFTF-LJQANCHMSA-N
XLogP2.98
TPSA67.23 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.46
LogP ≤ 52.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-methyl-2-oxo-N-[(1S)-2-(2-oxopyrrolidin-1-yl)-1-phenylethyl]pyridine-4-carboxamide
CID 94029267
1,2-dimethyl-N-(1-phenylethyl)benzimidazole-5-carboxamide
CID 110765787
N-[(1S)-2-(2-oxopyrrolidin-1-yl)-1-phenylethyl]-5,6,7,8-tetrahydronaphthalene-2-carboxamide
CID 51954274
tert-butyl N-[3-[[2-(2-oxopyrrolidin-1-yl)-1-phenylethyl]carbamoyl]phenyl]carbamate
CID 47043413
3-methoxy-N-[(1R)-2-(2-oxopyrrolidin-1-yl)-1-phenylethyl]benzamide
CID 94198349
2-chloro-N-[2-(2-oxopyrrolidin-1-yl)-1-phenylethyl]pyridine-4-carboxamide
CID 47043433
N-[2-(2-oxopyrrolidin-1-yl)-1-phenylethyl]-4-pyrrol-1-ylbenzamide
CID 47043426
N-[(1S)-2-(2-oxopyrrolidin-1-yl)-1-phenylethyl]pyridine-3-carboxamide
CID 94198526
2-methyl-N-[(1S)-2-(2-oxopyrrolidin-1-yl)-1-phenylethyl]pyrimidine-4-carboxamide
CID 94821155
N-[2-(2-oxopyrrolidin-1-yl)-1-phenylethyl]thiophene-3-carboxamide
CID 47043425
1,2-dimethyl-N-phenylbenzimidazole-5-carboxamide
CID 110765831
2-(aminomethyl)-N-[2-(2-oxopyrrolidin-1-yl)-1-phenylethyl]-1,3-thiazole-4-carboxamide
CID 119719349

Frequently Asked Questions

What is the IUPAC name of 1,2-dimethyl-N-[(1S)-2-(2-oxopyrrolidin-1-yl)-1-phenylethyl]benzimidazole-5-carboxamide?
The IUPAC name of 1,2-dimethyl-N-[(1S)-2-(2-oxopyrrolidin-1-yl)-1-phenylethyl]benzimidazole-5-carboxamide (CID 95139049) is 1,2-dimethyl-N-[(1S)-2-(2-oxopyrrolidin-1-yl)-1-phenylethyl]benzimidazole-5-carboxamide.
What is the SMILES notation for 1,2-dimethyl-N-[(1S)-2-(2-oxopyrrolidin-1-yl)-1-phenylethyl]benzimidazole-5-carboxamide?
The canonical SMILES for 1,2-dimethyl-N-[(1S)-2-(2-oxopyrrolidin-1-yl)-1-phenylethyl]benzimidazole-5-carboxamide is Cc1nc2cc(C(=O)N[C@H](CN3CCCC3=O)c3ccccc3)ccc2n1C.
What is the InChIKey of 1,2-dimethyl-N-[(1S)-2-(2-oxopyrrolidin-1-yl)-1-phenylethyl]benzimidazole-5-carboxamide?
The InChIKey is WBGJKGJBOQZFTF-LJQANCHMSA-N. The full InChI is InChI=1S/C22H24N4O2/c1-15-23-18-13-17(10-11-20(18)25(15)2)22(28)24-19(16-7-4-3-5-8-16)14-26-12-6-9-21(26)27/h3-5,7-8,10-11,13,19H,6,9,12,14H2,1-2H3,(H,24,28)/t19-/m1/s1.
What are the key properties of 1,2-dimethyl-N-[(1S)-2-(2-oxopyrrolidin-1-yl)-1-phenylethyl]benzimidazole-5-carboxamide?
1,2-dimethyl-N-[(1S)-2-(2-oxopyrrolidin-1-yl)-1-phenylethyl]benzimidazole-5-carboxamide has a molecular weight of 376.46 g/mol, XLogP of 2.98, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2-dimethyl-N-[(1S)-2-(2-oxopyrrolidin-1-yl)-1-phenylethyl]benzimidazole-5-carboxamide is sourced from PubChem (CID 95139049), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).