(4S)-1-ethyl-4-[1-(naphthalen-1-ylmethyl)benzimidazol-2-yl]pyrrolidin-2-one

C24H23N3O — CID 25345296

IUPAC(4S)-1-ethyl-4-[1-(naphthalen-1-ylmethyl)benzimidazol-2-yl]pyrrolidin-2-one
SMILESCCN1C[C@@H](c2nc3ccccc3n2Cc2cccc3ccccc23)CC1=O
InChIInChI=1S/C24H23N3O/c1-2-26-15-19(14-23(26)28)24-25-21-12-5-6-13-22(21)27(24)16-18-10-7-9-17-8-3-4-11-20(17)18/h3-13,19H,2,14-16H2,1H3/t19-/m0/s1
InChIKeyCUGPEMPLKCLLIC-IBGZPJMESA-N
MW369.47 g/mol
LogP4.57
Rot. Bonds4

About (4S)-1-ethyl-4-[1-(naphthalen-1-ylmethyl)benzimidazol-2-yl]pyrrolidin-2-one

(4S)-1-ethyl-4-[1-(naphthalen-1-ylmethyl)benzimidazol-2-yl]pyrrolidin-2-one (PubChem CID 25345296) has the molecular formula C24H23N3O and a molecular weight of 369.47 g/mol. Its IUPAC name is (4S)-1-ethyl-4-[1-(naphthalen-1-ylmethyl)benzimidazol-2-yl]pyrrolidin-2-one.

Molecular Properties

Compound Name(4S)-1-ethyl-4-[1-(naphthalen-1-ylmethyl)benzimidazol-2-yl]pyrrolidin-2-one
PubChem CID25345296
Molecular FormulaC24H23N3O
Molecular Weight369.47 g/mol
Exact Mass369.18
IUPAC Name(4S)-1-ethyl-4-[1-(naphthalen-1-ylmethyl)benzimidazol-2-yl]pyrrolidin-2-one
SMILESCCN1C[C@@H](c2nc3ccccc3n2Cc2cccc3ccccc23)CC1=O
InChIInChI=1S/C24H23N3O/c1-2-26-15-19(14-23(26)28)24-25-21-12-5-6-13-22(21)27(24)16-18-10-7-9-17-8-3-4-11-20(17)18/h3-13,19H,2,14-16H2,1H3/t19-/m0/s1
InChIKeyCUGPEMPLKCLLIC-IBGZPJMESA-N
XLogP4.57
TPSA38.13 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.47
LogP ≤ 54.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-ethyl-4-(1-ethylbenzimidazol-2-yl)pyrrolidin-2-one
CID 17002372
1-(2-methylphenyl)-4-[1-(naphthalen-1-ylmethyl)benzimidazol-2-yl]pyrrolidin-2-one
CID 17002642
4-[1-[(4-bromophenyl)methyl]benzimidazol-2-yl]-1-ethylpyrrolidin-2-one
CID 17002398
1-ethyl-4-[1-(3-methylbutyl)benzimidazol-2-yl]pyrrolidin-2-one
CID 17002382
(4S)-1-(4-methoxyphenyl)-4-[1-(naphthalen-1-ylmethyl)benzimidazol-2-yl]pyrrolidin-2-one
CID 40836176
1-(2-chlorophenyl)-4-[1-(naphthalen-1-ylmethyl)benzimidazol-2-yl]pyrrolidin-2-one
CID 18889248
1-ethyl-4-(1-octadecylbenzimidazol-2-yl)pyrrolidin-2-one
CID 17002392
1-ethyl-4-(1-hexadecylbenzimidazol-2-yl)pyrrolidin-2-one
CID 17002391
4-[1-(2-ethoxyethyl)benzimidazol-2-yl]-1-ethylpyrrolidin-2-one
CID 17002489
(4S)-4-[1-(2-cyclohexylethyl)benzimidazol-2-yl]-1-ethylpyrrolidin-2-one
CID 40841216
(4R)-4-(1-ethylbenzimidazol-2-yl)-1-[(4-fluorophenyl)methyl]pyrrolidin-2-one
CID 40698749
1-butyl-4-(1-butylbenzimidazol-2-yl)pyrrolidin-2-one
CID 16615336

Frequently Asked Questions

What is the IUPAC name of (4S)-1-ethyl-4-[1-(naphthalen-1-ylmethyl)benzimidazol-2-yl]pyrrolidin-2-one?
The IUPAC name of (4S)-1-ethyl-4-[1-(naphthalen-1-ylmethyl)benzimidazol-2-yl]pyrrolidin-2-one (CID 25345296) is (4S)-1-ethyl-4-[1-(naphthalen-1-ylmethyl)benzimidazol-2-yl]pyrrolidin-2-one.
What is the SMILES notation for (4S)-1-ethyl-4-[1-(naphthalen-1-ylmethyl)benzimidazol-2-yl]pyrrolidin-2-one?
The canonical SMILES for (4S)-1-ethyl-4-[1-(naphthalen-1-ylmethyl)benzimidazol-2-yl]pyrrolidin-2-one is CCN1C[C@@H](c2nc3ccccc3n2Cc2cccc3ccccc23)CC1=O.
What is the InChIKey of (4S)-1-ethyl-4-[1-(naphthalen-1-ylmethyl)benzimidazol-2-yl]pyrrolidin-2-one?
The InChIKey is CUGPEMPLKCLLIC-IBGZPJMESA-N. The full InChI is InChI=1S/C24H23N3O/c1-2-26-15-19(14-23(26)28)24-25-21-12-5-6-13-22(21)27(24)16-18-10-7-9-17-8-3-4-11-20(17)18/h3-13,19H,2,14-16H2,1H3/t19-/m0/s1.
What are the key properties of (4S)-1-ethyl-4-[1-(naphthalen-1-ylmethyl)benzimidazol-2-yl]pyrrolidin-2-one?
(4S)-1-ethyl-4-[1-(naphthalen-1-ylmethyl)benzimidazol-2-yl]pyrrolidin-2-one has a molecular weight of 369.47 g/mol, XLogP of 4.57, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-1-ethyl-4-[1-(naphthalen-1-ylmethyl)benzimidazol-2-yl]pyrrolidin-2-one is sourced from PubChem (CID 25345296), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).