2-[2-(1-ethyl-5-oxopyrrolidin-3-yl)benzimidazol-1-yl]-N,N-dipropylacetamide

C21H30N4O2 — CID 17002492

IUPAC2-[2-(1-ethyl-5-oxopyrrolidin-3-yl)benzimidazol-1-yl]-N,N-dipropylacetamide
SMILESCCCN(CCC)C(=O)Cn1c(C2CC(=O)N(CC)C2)nc2ccccc21
InChIInChI=1S/C21H30N4O2/c1-4-11-24(12-5-2)20(27)15-25-18-10-8-7-9-17(18)22-21(25)16-13-19(26)23(6-3)14-16/h7-10,16H,4-6,11-15H2,1-3H3
InChIKeyURCVDMMNLIOCHE-UHFFFAOYSA-N
MW370.50 g/mol
LogP3.02
Rot. Bonds8

About 2-[2-(1-ethyl-5-oxopyrrolidin-3-yl)benzimidazol-1-yl]-N,N-dipropylacetamide

2-[2-(1-ethyl-5-oxopyrrolidin-3-yl)benzimidazol-1-yl]-N,N-dipropylacetamide (PubChem CID 17002492) has the molecular formula C21H30N4O2 and a molecular weight of 370.50 g/mol. Its IUPAC name is 2-[2-(1-ethyl-5-oxopyrrolidin-3-yl)benzimidazol-1-yl]-N,N-dipropylacetamide.

Molecular Properties

Compound Name2-[2-(1-ethyl-5-oxopyrrolidin-3-yl)benzimidazol-1-yl]-N,N-dipropylacetamide
PubChem CID17002492
Molecular FormulaC21H30N4O2
Molecular Weight370.50 g/mol
Exact Mass370.24
IUPAC Name2-[2-(1-ethyl-5-oxopyrrolidin-3-yl)benzimidazol-1-yl]-N,N-dipropylacetamide
SMILESCCCN(CCC)C(=O)Cn1c(C2CC(=O)N(CC)C2)nc2ccccc21
InChIInChI=1S/C21H30N4O2/c1-4-11-24(12-5-2)20(27)15-25-18-10-8-7-9-17(18)22-21(25)16-13-19(26)23(6-3)14-16/h7-10,16H,4-6,11-15H2,1-3H3
InChIKeyURCVDMMNLIOCHE-UHFFFAOYSA-N
XLogP3.02
TPSA58.44 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.50
LogP ≤ 53.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-[2-[1-(4-fluorophenyl)-5-oxopyrrolidin-3-yl]benzimidazol-1-yl]-N,N-dipropylacetamide
CID 17004639
1-ethyl-4-(1-ethylbenzimidazol-2-yl)pyrrolidin-2-one
CID 17002372
2-[2-(1-benzyl-5-oxopyrrolidin-3-yl)benzimidazol-1-yl]-N,N-diethylacetamide
CID 17005505
1-ethyl-4-(1-hexadecylbenzimidazol-2-yl)pyrrolidin-2-one
CID 17002391
1-ethyl-4-(1-octadecylbenzimidazol-2-yl)pyrrolidin-2-one
CID 17002392
N,N-diethyl-2-[2-[(3S)-1-[(4-fluorophenyl)methyl]-5-oxopyrrolidin-3-yl]benzimidazol-1-yl]acetamide
CID 42387185
2-[2-[(3R)-1-butyl-5-oxopyrrolidin-3-yl]benzimidazol-1-yl]-N-methyl-N-phenylacetamide
CID 40841095
2-[2-(1-benzyl-5-oxopyrrolidin-3-yl)benzimidazol-1-yl]-N-butyl-N-methylacetamide
CID 17005510
2-[2-[(3R)-1-benzyl-5-oxopyrrolidin-3-yl]benzimidazol-1-yl]-N,N-bis(2-methylpropyl)acetamide
CID 42387158
2-[2-[(3S)-1-benzyl-5-oxopyrrolidin-3-yl]benzimidazol-1-yl]-N,N-bis(2-methylpropyl)acetamide
CID 42387157
2-[2-(1-methyl-5-oxopyrrolidin-3-yl)benzimidazol-1-yl]-N,N-bis(prop-2-enyl)acetamide
CID 17002346
4-[1-(2-ethoxyethyl)benzimidazol-2-yl]-1-ethylpyrrolidin-2-one
CID 17002489

Frequently Asked Questions

What is the IUPAC name of 2-[2-(1-ethyl-5-oxopyrrolidin-3-yl)benzimidazol-1-yl]-N,N-dipropylacetamide?
The IUPAC name of 2-[2-(1-ethyl-5-oxopyrrolidin-3-yl)benzimidazol-1-yl]-N,N-dipropylacetamide (CID 17002492) is 2-[2-(1-ethyl-5-oxopyrrolidin-3-yl)benzimidazol-1-yl]-N,N-dipropylacetamide.
What is the SMILES notation for 2-[2-(1-ethyl-5-oxopyrrolidin-3-yl)benzimidazol-1-yl]-N,N-dipropylacetamide?
The canonical SMILES for 2-[2-(1-ethyl-5-oxopyrrolidin-3-yl)benzimidazol-1-yl]-N,N-dipropylacetamide is CCCN(CCC)C(=O)Cn1c(C2CC(=O)N(CC)C2)nc2ccccc21.
What is the InChIKey of 2-[2-(1-ethyl-5-oxopyrrolidin-3-yl)benzimidazol-1-yl]-N,N-dipropylacetamide?
The InChIKey is URCVDMMNLIOCHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H30N4O2/c1-4-11-24(12-5-2)20(27)15-25-18-10-8-7-9-17(18)22-21(25)16-13-19(26)23(6-3)14-16/h7-10,16H,4-6,11-15H2,1-3H3.
What are the key properties of 2-[2-(1-ethyl-5-oxopyrrolidin-3-yl)benzimidazol-1-yl]-N,N-dipropylacetamide?
2-[2-(1-ethyl-5-oxopyrrolidin-3-yl)benzimidazol-1-yl]-N,N-dipropylacetamide has a molecular weight of 370.50 g/mol, XLogP of 3.02, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(1-ethyl-5-oxopyrrolidin-3-yl)benzimidazol-1-yl]-N,N-dipropylacetamide is sourced from PubChem (CID 17002492), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).