(3R)-1-cyclopentyl-N-[2-(1-ethylbenzimidazol-2-yl)ethyl]-5-oxopyrrolidine-3-carboxamide

C21H28N4O2 — CID 95235825

IUPAC(3R)-1-cyclopentyl-N-[2-(1-ethylbenzimidazol-2-yl)ethyl]-5-oxopyrrolidine-3-carboxamide
SMILESCCn1c(CCNC(=O)[C@@H]2CC(=O)N(C3CCCC3)C2)nc2ccccc21
InChIInChI=1S/C21H28N4O2/c1-2-24-18-10-6-5-9-17(18)23-19(24)11-12-22-21(27)15-13-20(26)25(14-15)16-7-3-4-8-16/h5-6,9-10,15-16H,2-4,7-8,11-14H2,1H3,(H,22,27)/t15-/m1/s1
InChIKeyUVMILLVPJJWWQI-OAHLLOKOSA-N
MW368.48 g/mol
LogP2.51
Rot. Bonds6

About (3R)-1-cyclopentyl-N-[2-(1-ethylbenzimidazol-2-yl)ethyl]-5-oxopyrrolidine-3-carboxamide

(3R)-1-cyclopentyl-N-[2-(1-ethylbenzimidazol-2-yl)ethyl]-5-oxopyrrolidine-3-carboxamide (PubChem CID 95235825) has the molecular formula C21H28N4O2 and a molecular weight of 368.48 g/mol. Its IUPAC name is (3R)-1-cyclopentyl-N-[2-(1-ethylbenzimidazol-2-yl)ethyl]-5-oxopyrrolidine-3-carboxamide.

Molecular Properties

Compound Name(3R)-1-cyclopentyl-N-[2-(1-ethylbenzimidazol-2-yl)ethyl]-5-oxopyrrolidine-3-carboxamide
PubChem CID95235825
Molecular FormulaC21H28N4O2
Molecular Weight368.48 g/mol
Exact Mass368.22
IUPAC Name(3R)-1-cyclopentyl-N-[2-(1-ethylbenzimidazol-2-yl)ethyl]-5-oxopyrrolidine-3-carboxamide
SMILESCCn1c(CCNC(=O)[C@@H]2CC(=O)N(C3CCCC3)C2)nc2ccccc21
InChIInChI=1S/C21H28N4O2/c1-2-24-18-10-6-5-9-17(18)23-19(24)11-12-22-21(27)15-13-20(26)25(14-15)16-7-3-4-8-16/h5-6,9-10,15-16H,2-4,7-8,11-14H2,1H3,(H,22,27)/t15-/m1/s1
InChIKeyUVMILLVPJJWWQI-OAHLLOKOSA-N
XLogP2.51
TPSA67.23 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.48
LogP ≤ 52.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(3S)-1-cyclopentyl-N-[2-(2-methylbenzimidazol-1-yl)ethyl]-5-oxopyrrolidine-3-carboxamide
CID 31849234
(3R)-1-cyclopentyl-5-oxo-N-(1-propylbenzimidazol-2-yl)pyrrolidine-3-carboxamide
CID 25346487
(3R)-1-acetyl-N-[2-(1-ethylbenzimidazol-2-yl)ethyl]piperidine-3-carboxamide
CID 95235828
N-[5-(1-ethylbenzimidazol-2-yl)pentyl]cyclohexanecarboxamide
CID 16988943
(3S)-1-cyclopentyl-5-oxo-N-(2-pyridin-2-ylethyl)pyrrolidine-3-carboxamide
CID 94181168
(3S)-1-cyclopropyl-5-oxo-N-(1-propylbenzimidazol-2-yl)pyrrolidine-3-carboxamide
CID 36809640
N-[2-(1-octylbenzimidazol-2-yl)ethyl]cyclohexanecarboxamide
CID 18888831
N-[2-(1-butylbenzimidazol-2-yl)ethyl]cyclopropanecarboxamide
CID 16975142
1-cyclopentyl-N-[2-(2-fluorophenyl)ethyl]-5-oxopyrrolidine-3-carboxamide
CID 42916466
methyl 2-[2-[2-(cyclohexanecarbonylamino)ethyl]benzimidazol-1-yl]acetate
CID 16975124
(3R)-1-cyclopentyl-5-oxo-N-(2-pyridin-4-ylethyl)pyrrolidine-3-carboxamide
CID 97124433
1-cyclopentyl-N-[(1-methylbenzimidazol-2-yl)methyl]-6-oxopiperidine-3-carboxamide
CID 45171809

Frequently Asked Questions

What is the IUPAC name of (3R)-1-cyclopentyl-N-[2-(1-ethylbenzimidazol-2-yl)ethyl]-5-oxopyrrolidine-3-carboxamide?
The IUPAC name of (3R)-1-cyclopentyl-N-[2-(1-ethylbenzimidazol-2-yl)ethyl]-5-oxopyrrolidine-3-carboxamide (CID 95235825) is (3R)-1-cyclopentyl-N-[2-(1-ethylbenzimidazol-2-yl)ethyl]-5-oxopyrrolidine-3-carboxamide.
What is the SMILES notation for (3R)-1-cyclopentyl-N-[2-(1-ethylbenzimidazol-2-yl)ethyl]-5-oxopyrrolidine-3-carboxamide?
The canonical SMILES for (3R)-1-cyclopentyl-N-[2-(1-ethylbenzimidazol-2-yl)ethyl]-5-oxopyrrolidine-3-carboxamide is CCn1c(CCNC(=O)[C@@H]2CC(=O)N(C3CCCC3)C2)nc2ccccc21.
What is the InChIKey of (3R)-1-cyclopentyl-N-[2-(1-ethylbenzimidazol-2-yl)ethyl]-5-oxopyrrolidine-3-carboxamide?
The InChIKey is UVMILLVPJJWWQI-OAHLLOKOSA-N. The full InChI is InChI=1S/C21H28N4O2/c1-2-24-18-10-6-5-9-17(18)23-19(24)11-12-22-21(27)15-13-20(26)25(14-15)16-7-3-4-8-16/h5-6,9-10,15-16H,2-4,7-8,11-14H2,1H3,(H,22,27)/t15-/m1/s1.
What are the key properties of (3R)-1-cyclopentyl-N-[2-(1-ethylbenzimidazol-2-yl)ethyl]-5-oxopyrrolidine-3-carboxamide?
(3R)-1-cyclopentyl-N-[2-(1-ethylbenzimidazol-2-yl)ethyl]-5-oxopyrrolidine-3-carboxamide has a molecular weight of 368.48 g/mol, XLogP of 2.51, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-1-cyclopentyl-N-[2-(1-ethylbenzimidazol-2-yl)ethyl]-5-oxopyrrolidine-3-carboxamide is sourced from PubChem (CID 95235825), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).