(4R)-4-[1-[2-(azepan-1-yl)-2-oxoethyl]benzimidazol-2-yl]-1-cyclopropylpyrrolidin-2-one

C22H28N4O2 — CID 39730145

IUPAC(4R)-4-[1-[2-(azepan-1-yl)-2-oxoethyl]benzimidazol-2-yl]-1-cyclopropylpyrrolidin-2-one
SMILESO=C(Cn1c([C@@H]2CC(=O)N(C3CC3)C2)nc2ccccc21)N1CCCCCC1
InChIInChI=1S/C22H28N4O2/c27-20-13-16(14-25(20)17-9-10-17)22-23-18-7-3-4-8-19(18)26(22)15-21(28)24-11-5-1-2-6-12-24/h3-4,7-8,16-17H,1-2,5-6,9-15H2/t16-/m1/s1
InChIKeyBEXGILMRLBJJTR-MRXNPFEDSA-N
MW380.49 g/mol
LogP2.92
Rot. Bonds4

About (4R)-4-[1-[2-(azepan-1-yl)-2-oxoethyl]benzimidazol-2-yl]-1-cyclopropylpyrrolidin-2-one

(4R)-4-[1-[2-(azepan-1-yl)-2-oxoethyl]benzimidazol-2-yl]-1-cyclopropylpyrrolidin-2-one (PubChem CID 39730145) has the molecular formula C22H28N4O2 and a molecular weight of 380.49 g/mol. Its IUPAC name is (4R)-4-[1-[2-(azepan-1-yl)-2-oxoethyl]benzimidazol-2-yl]-1-cyclopropylpyrrolidin-2-one.

Molecular Properties

Compound Name(4R)-4-[1-[2-(azepan-1-yl)-2-oxoethyl]benzimidazol-2-yl]-1-cyclopropylpyrrolidin-2-one
PubChem CID39730145
Molecular FormulaC22H28N4O2
Molecular Weight380.49 g/mol
Exact Mass380.22
IUPAC Name(4R)-4-[1-[2-(azepan-1-yl)-2-oxoethyl]benzimidazol-2-yl]-1-cyclopropylpyrrolidin-2-one
SMILESO=C(Cn1c([C@@H]2CC(=O)N(C3CC3)C2)nc2ccccc21)N1CCCCCC1
InChIInChI=1S/C22H28N4O2/c27-20-13-16(14-25(20)17-9-10-17)22-23-18-7-3-4-8-19(18)26(22)15-21(28)24-11-5-1-2-6-12-24/h3-4,7-8,16-17H,1-2,5-6,9-15H2/t16-/m1/s1
InChIKeyBEXGILMRLBJJTR-MRXNPFEDSA-N
XLogP2.92
TPSA58.44 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.49
LogP ≤ 52.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze (4R)-4-[1-[2-(azepan-1-yl)-2-oxoethyl]benzimidazol-2-yl]-1-cyclopropylpyrrolidin-2-one with MolForge

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Related Compounds

1-(azepan-1-yl)-2-(2-cyclohexylbenzimidazol-1-yl)ethanone
CID 16996658
2-(2-cyclohexylbenzimidazol-1-yl)-1-piperidin-1-ylethanone
CID 16996660
1-(2-fluorophenyl)-4-[1-(2-oxo-2-piperidin-1-ylethyl)benzimidazol-2-yl]pyrrolidin-2-one
CID 17003499
4-[1-[2-(azepan-1-yl)-2-oxoethyl]benzimidazol-2-yl]-1-(4-fluorophenyl)pyrrolidin-2-one
CID 17004648
(4S)-1-(2-methylphenyl)-4-[1-(2-oxo-2-piperidin-1-ylethyl)benzimidazol-2-yl]pyrrolidin-2-one
CID 42387107
4-[1-[2-(azepan-1-yl)-2-oxoethyl]benzimidazol-2-yl]-1-(2-bromophenyl)pyrrolidin-2-one
CID 17003393
4-[1-[2-(azepan-1-yl)-2-oxoethyl]benzimidazol-2-yl]-1-(4-chlorophenyl)pyrrolidin-2-one
CID 17004584
1-(2-bromophenyl)-4-[1-(2-oxo-2-pyrrolidin-1-ylethyl)benzimidazol-2-yl]pyrrolidin-2-one
CID 17003394
(4S)-4-[1-[2-(azepan-1-yl)-2-oxoethyl]benzimidazol-2-yl]-1-(4-ethylphenyl)pyrrolidin-2-one
CID 39115887
methyl 2-[2-(1-cyclopentyl-5-oxopyrrolidin-3-yl)benzimidazol-1-yl]acetate
CID 16965351
4-[1-[2-(azepan-1-yl)-2-oxoethyl]benzimidazol-2-yl]-1-(2-phenylethyl)pyrrolidin-2-one
CID 17005823
4-(1-benzylbenzimidazol-2-yl)-1-cyclohexylpyrrolidin-2-one
CID 17005290

Frequently Asked Questions

What is the IUPAC name of (4R)-4-[1-[2-(azepan-1-yl)-2-oxoethyl]benzimidazol-2-yl]-1-cyclopropylpyrrolidin-2-one?
The IUPAC name of (4R)-4-[1-[2-(azepan-1-yl)-2-oxoethyl]benzimidazol-2-yl]-1-cyclopropylpyrrolidin-2-one (CID 39730145) is (4R)-4-[1-[2-(azepan-1-yl)-2-oxoethyl]benzimidazol-2-yl]-1-cyclopropylpyrrolidin-2-one.
What is the SMILES notation for (4R)-4-[1-[2-(azepan-1-yl)-2-oxoethyl]benzimidazol-2-yl]-1-cyclopropylpyrrolidin-2-one?
The canonical SMILES for (4R)-4-[1-[2-(azepan-1-yl)-2-oxoethyl]benzimidazol-2-yl]-1-cyclopropylpyrrolidin-2-one is O=C(Cn1c([C@@H]2CC(=O)N(C3CC3)C2)nc2ccccc21)N1CCCCCC1.
What is the InChIKey of (4R)-4-[1-[2-(azepan-1-yl)-2-oxoethyl]benzimidazol-2-yl]-1-cyclopropylpyrrolidin-2-one?
The InChIKey is BEXGILMRLBJJTR-MRXNPFEDSA-N. The full InChI is InChI=1S/C22H28N4O2/c27-20-13-16(14-25(20)17-9-10-17)22-23-18-7-3-4-8-19(18)26(22)15-21(28)24-11-5-1-2-6-12-24/h3-4,7-8,16-17H,1-2,5-6,9-15H2/t16-/m1/s1.
What are the key properties of (4R)-4-[1-[2-(azepan-1-yl)-2-oxoethyl]benzimidazol-2-yl]-1-cyclopropylpyrrolidin-2-one?
(4R)-4-[1-[2-(azepan-1-yl)-2-oxoethyl]benzimidazol-2-yl]-1-cyclopropylpyrrolidin-2-one has a molecular weight of 380.49 g/mol, XLogP of 2.92, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-4-[1-[2-(azepan-1-yl)-2-oxoethyl]benzimidazol-2-yl]-1-cyclopropylpyrrolidin-2-one is sourced from PubChem (CID 39730145), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).