2-(2-ethylbenzimidazol-1-yl)-N-[(2S)-2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]acetamide

C21H26N4O2 — CID 25350697

IUPAC2-(2-ethylbenzimidazol-1-yl)-N-[(2S)-2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]acetamide
SMILESCCc1nc2ccccc2n1CC(=O)NC[C@@H](c1ccco1)N1CCCC1
InChIInChI=1S/C21H26N4O2/c1-2-20-23-16-8-3-4-9-17(16)25(20)15-21(26)22-14-18(19-10-7-13-27-19)24-11-5-6-12-24/h3-4,7-10,13,18H,2,5-6,11-12,14-15H2,1H3,(H,22,26)/t18-/m0/s1
InChIKeyDZKFYTXGNDSTCQ-SFHVURJKSA-N
MW366.47 g/mol
LogP3.14
Rot. Bonds7

About 2-(2-ethylbenzimidazol-1-yl)-N-[(2S)-2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]acetamide

2-(2-ethylbenzimidazol-1-yl)-N-[(2S)-2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]acetamide (PubChem CID 25350697) has the molecular formula C21H26N4O2 and a molecular weight of 366.47 g/mol. Its IUPAC name is 2-(2-ethylbenzimidazol-1-yl)-N-[(2S)-2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]acetamide.

Molecular Properties

Compound Name2-(2-ethylbenzimidazol-1-yl)-N-[(2S)-2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]acetamide
PubChem CID25350697
Molecular FormulaC21H26N4O2
Molecular Weight366.47 g/mol
Exact Mass366.21
IUPAC Name2-(2-ethylbenzimidazol-1-yl)-N-[(2S)-2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]acetamide
SMILESCCc1nc2ccccc2n1CC(=O)NC[C@@H](c1ccco1)N1CCCC1
InChIInChI=1S/C21H26N4O2/c1-2-20-23-16-8-3-4-9-17(16)25(20)15-21(26)22-14-18(19-10-7-13-27-19)24-11-5-6-12-24/h3-4,7-10,13,18H,2,5-6,11-12,14-15H2,1H3,(H,22,26)/t18-/m0/s1
InChIKeyDZKFYTXGNDSTCQ-SFHVURJKSA-N
XLogP3.14
TPSA63.30 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.47
LogP ≤ 53.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[2-(furan-2-yl)-2-piperidin-1-ylethyl]-2-(2-oxoquinoxalin-1-yl)acetamide
CID 47004561
N-[(2S)-2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]-2-[2-(1,3-thiazol-4-yl)benzimidazol-1-yl]acetamide
CID 9459935
2-(3-ethyl-2,4-dioxoquinazolin-1-yl)-N-[(2R)-2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]acetamide
CID 41411599
N-[2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]butanamide
CID 60636600
N-[(2R)-2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]butanamide
CID 93157841
N-[2-(azepan-1-yl)-2-(furan-2-yl)ethyl]butanamide
CID 112503325
N-[(2S)-2-(furan-2-yl)-2-piperidin-1-ylethyl]-2-(4-oxoquinazolin-3-yl)acetamide
CID 9403212
N-[2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]-3-(2-methylpropyl)imidazo[1,5-a]pyridine-1-carboxamide
CID 110621614
N-[(2S)-2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]-3-phenylpropanamide
CID 7780304
3-acetamido-N-[2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]propanamide
CID 110353373
N-[(2S)-2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]-2-(4-methylphenyl)acetamide
CID 41099008
2-[2-(difluoromethylsulfanyl)benzimidazol-1-yl]-N-(2-phenyl-2-pyrrolidin-1-ylethyl)acetamide
CID 55462678

Frequently Asked Questions

What is the IUPAC name of 2-(2-ethylbenzimidazol-1-yl)-N-[(2S)-2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]acetamide?
The IUPAC name of 2-(2-ethylbenzimidazol-1-yl)-N-[(2S)-2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]acetamide (CID 25350697) is 2-(2-ethylbenzimidazol-1-yl)-N-[(2S)-2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]acetamide.
What is the SMILES notation for 2-(2-ethylbenzimidazol-1-yl)-N-[(2S)-2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]acetamide?
The canonical SMILES for 2-(2-ethylbenzimidazol-1-yl)-N-[(2S)-2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]acetamide is CCc1nc2ccccc2n1CC(=O)NC[C@@H](c1ccco1)N1CCCC1.
What is the InChIKey of 2-(2-ethylbenzimidazol-1-yl)-N-[(2S)-2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]acetamide?
The InChIKey is DZKFYTXGNDSTCQ-SFHVURJKSA-N. The full InChI is InChI=1S/C21H26N4O2/c1-2-20-23-16-8-3-4-9-17(16)25(20)15-21(26)22-14-18(19-10-7-13-27-19)24-11-5-6-12-24/h3-4,7-10,13,18H,2,5-6,11-12,14-15H2,1H3,(H,22,26)/t18-/m0/s1.
What are the key properties of 2-(2-ethylbenzimidazol-1-yl)-N-[(2S)-2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]acetamide?
2-(2-ethylbenzimidazol-1-yl)-N-[(2S)-2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]acetamide has a molecular weight of 366.47 g/mol, XLogP of 3.14, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-ethylbenzimidazol-1-yl)-N-[(2S)-2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]acetamide is sourced from PubChem (CID 25350697), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).