1-[(2-chlorobenzimidazol-1-yl)methyl]-4-phenylpyrrolidin-2-one

C18H16ClN3O — CID 67113851

IUPAC1-[(2-chlorobenzimidazol-1-yl)methyl]-4-phenylpyrrolidin-2-one
SMILESO=C1CC(c2ccccc2)CN1Cn1c(Cl)nc2ccccc21
InChIInChI=1S/C18H16ClN3O/c19-18-20-15-8-4-5-9-16(15)22(18)12-21-11-14(10-17(21)23)13-6-2-1-3-7-13/h1-9,14H,10-12H2
InChIKeyMDEVMCJLILKXBP-UHFFFAOYSA-N
MW325.80 g/mol
LogP3.66
Rot. Bonds3

About 1-[(2-chlorobenzimidazol-1-yl)methyl]-4-phenylpyrrolidin-2-one

1-[(2-chlorobenzimidazol-1-yl)methyl]-4-phenylpyrrolidin-2-one (PubChem CID 67113851) has the molecular formula C18H16ClN3O and a molecular weight of 325.80 g/mol. Its IUPAC name is 1-[(2-chlorobenzimidazol-1-yl)methyl]-4-phenylpyrrolidin-2-one.

Molecular Properties

Compound Name1-[(2-chlorobenzimidazol-1-yl)methyl]-4-phenylpyrrolidin-2-one
PubChem CID67113851
Molecular FormulaC18H16ClN3O
Molecular Weight325.80 g/mol
Exact Mass325.10
IUPAC Name1-[(2-chlorobenzimidazol-1-yl)methyl]-4-phenylpyrrolidin-2-one
SMILESO=C1CC(c2ccccc2)CN1Cn1c(Cl)nc2ccccc21
InChIInChI=1S/C18H16ClN3O/c19-18-20-15-8-4-5-9-16(15)22(18)12-21-11-14(10-17(21)23)13-6-2-1-3-7-13/h1-9,14H,10-12H2
InChIKeyMDEVMCJLILKXBP-UHFFFAOYSA-N
XLogP3.66
TPSA38.13 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.80
LogP ≤ 53.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

4-(1-benzylbenzimidazol-2-yl)-1-(2-phenylethyl)pyrrolidin-2-one
CID 17005702
1-ethyl-4-(1-ethylbenzimidazol-2-yl)pyrrolidin-2-one
CID 17002372
(4R)-1-benzyl-4-(1-propylbenzimidazol-2-yl)pyrrolidin-2-one
CID 7136828
(4R)-4-(1-benzylbenzimidazol-2-yl)-1-butylpyrrolidin-2-one
CID 39115868
(4R)-4-[1-[(4-chlorophenyl)methyl]benzimidazol-2-yl]-1-[(4-fluorophenyl)methyl]pyrrolidin-2-one
CID 25345342
1-benzyl-4-[1-[(3-methylphenyl)methyl]benzimidazol-2-yl]pyrrolidin-2-one
CID 4754148
1-butyl-4-(1-butylbenzimidazol-2-yl)pyrrolidin-2-one
CID 16615336
4-[1-[(4-methylphenyl)methyl]benzimidazol-2-yl]-1-(2-phenylethyl)pyrrolidin-2-one
CID 17005726
1-benzyl-4-(1-heptylbenzimidazol-2-yl)pyrrolidin-2-one
CID 17005433
4-[1-[(4-bromophenyl)methyl]benzimidazol-2-yl]-1-ethylpyrrolidin-2-one
CID 17002398
(4R)-1-benzyl-4-[1-[2-(2-chlorophenoxy)ethyl]benzimidazol-2-yl]pyrrolidin-2-one
CID 40836280
4-[1-[(2,6-dichlorophenyl)methyl]benzimidazol-2-yl]-1-[(4-fluorophenyl)methyl]pyrrolidin-2-one
CID 17005574

Frequently Asked Questions

What is the IUPAC name of 1-[(2-chlorobenzimidazol-1-yl)methyl]-4-phenylpyrrolidin-2-one?
The IUPAC name of 1-[(2-chlorobenzimidazol-1-yl)methyl]-4-phenylpyrrolidin-2-one (CID 67113851) is 1-[(2-chlorobenzimidazol-1-yl)methyl]-4-phenylpyrrolidin-2-one.
What is the SMILES notation for 1-[(2-chlorobenzimidazol-1-yl)methyl]-4-phenylpyrrolidin-2-one?
The canonical SMILES for 1-[(2-chlorobenzimidazol-1-yl)methyl]-4-phenylpyrrolidin-2-one is O=C1CC(c2ccccc2)CN1Cn1c(Cl)nc2ccccc21.
What is the InChIKey of 1-[(2-chlorobenzimidazol-1-yl)methyl]-4-phenylpyrrolidin-2-one?
The InChIKey is MDEVMCJLILKXBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16ClN3O/c19-18-20-15-8-4-5-9-16(15)22(18)12-21-11-14(10-17(21)23)13-6-2-1-3-7-13/h1-9,14H,10-12H2.
What are the key properties of 1-[(2-chlorobenzimidazol-1-yl)methyl]-4-phenylpyrrolidin-2-one?
1-[(2-chlorobenzimidazol-1-yl)methyl]-4-phenylpyrrolidin-2-one has a molecular weight of 325.80 g/mol, XLogP of 3.66, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2-chlorobenzimidazol-1-yl)methyl]-4-phenylpyrrolidin-2-one is sourced from PubChem (CID 67113851), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).