[1-(3-chlorophenyl)benzimidazol-5-yl]-pyrrolidin-1-ylmethanone

C18H16ClN3O — CID 156810853

IUPAC[1-(3-chlorophenyl)benzimidazol-5-yl]-pyrrolidin-1-ylmethanone
SMILESO=C(c1ccc2c(c1)ncn2-c1cccc(Cl)c1)N1CCCC1
InChIInChI=1S/C18H16ClN3O/c19-14-4-3-5-15(11-14)22-12-20-16-10-13(6-7-17(16)22)18(23)21-8-1-2-9-21/h3-7,10-12H,1-2,8-9H2
InChIKeyCOGKKWHISKUHJE-UHFFFAOYSA-N
MW325.80 g/mol
LogP3.91
Rot. Bonds2

About [1-(3-chlorophenyl)benzimidazol-5-yl]-pyrrolidin-1-ylmethanone

[1-(3-chlorophenyl)benzimidazol-5-yl]-pyrrolidin-1-ylmethanone (PubChem CID 156810853) has the molecular formula C18H16ClN3O and a molecular weight of 325.80 g/mol. Its IUPAC name is [1-(3-chlorophenyl)benzimidazol-5-yl]-pyrrolidin-1-ylmethanone.

Molecular Properties

Compound Name[1-(3-chlorophenyl)benzimidazol-5-yl]-pyrrolidin-1-ylmethanone
PubChem CID156810853
Molecular FormulaC18H16ClN3O
Molecular Weight325.80 g/mol
Exact Mass325.10
IUPAC Name[1-(3-chlorophenyl)benzimidazol-5-yl]-pyrrolidin-1-ylmethanone
SMILESO=C(c1ccc2c(c1)ncn2-c1cccc(Cl)c1)N1CCCC1
InChIInChI=1S/C18H16ClN3O/c19-14-4-3-5-15(11-14)22-12-20-16-10-13(6-7-17(16)22)18(23)21-8-1-2-9-21/h3-7,10-12H,1-2,8-9H2
InChIKeyCOGKKWHISKUHJE-UHFFFAOYSA-N
XLogP3.91
TPSA38.13 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.80
LogP ≤ 53.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

[1-(4-tert-butylphenyl)benzimidazol-5-yl]-piperidin-1-ylmethanone
CID 71307830
1-[1-(3-chlorophenyl)benzimidazol-5-yl]ethenamine
CID 164968478
[4-(3,4-dichlorophenyl)piperazin-1-yl]-(1-phenylbenzimidazol-5-yl)methanone
CID 121080190
3-(3-chlorophenyl)benzimidazole-5-carboxylic acid
CID 82790283
[3-[(dimethylamino)methyl]azetidin-1-yl]-[1-(3-methylphenyl)benzimidazol-5-yl]methanone
CID 136553899
4-(benzimidazol-1-yl)-N-[3-(piperidine-1-carbonyl)phenyl]benzamide
CID 55950490
[1-(3-methylphenyl)benzimidazol-5-yl]-(5-oxa-2-azaspiro[3.4]octan-2-yl)methanone
CID 167750239
5-(1-piperidin-1-ylethenyl)-1-[3-(trifluoromethyl)phenyl]benzimidazole
CID 176715744
[3-[4-(3-chlorophenyl)piperazine-1-carbonyl]phenyl]-[4-(3-chlorophenyl)piperazin-1-yl]methanone
CID 1069884
1-(3-bromophenyl)benzimidazole-5-carboxylic acid;ethane
CID 143546276
1-(3-chloro-5-fluorophenyl)benzimidazole-5-carboxylic acid
CID 107368788
1-[4-(1-methylbenzimidazole-5-carbonyl)-1,4-diazepan-1-yl]ethanone
CID 110805585

Frequently Asked Questions

What is the IUPAC name of [1-(3-chlorophenyl)benzimidazol-5-yl]-pyrrolidin-1-ylmethanone?
The IUPAC name of [1-(3-chlorophenyl)benzimidazol-5-yl]-pyrrolidin-1-ylmethanone (CID 156810853) is [1-(3-chlorophenyl)benzimidazol-5-yl]-pyrrolidin-1-ylmethanone.
What is the SMILES notation for [1-(3-chlorophenyl)benzimidazol-5-yl]-pyrrolidin-1-ylmethanone?
The canonical SMILES for [1-(3-chlorophenyl)benzimidazol-5-yl]-pyrrolidin-1-ylmethanone is O=C(c1ccc2c(c1)ncn2-c1cccc(Cl)c1)N1CCCC1.
What is the InChIKey of [1-(3-chlorophenyl)benzimidazol-5-yl]-pyrrolidin-1-ylmethanone?
The InChIKey is COGKKWHISKUHJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16ClN3O/c19-14-4-3-5-15(11-14)22-12-20-16-10-13(6-7-17(16)22)18(23)21-8-1-2-9-21/h3-7,10-12H,1-2,8-9H2.
What are the key properties of [1-(3-chlorophenyl)benzimidazol-5-yl]-pyrrolidin-1-ylmethanone?
[1-(3-chlorophenyl)benzimidazol-5-yl]-pyrrolidin-1-ylmethanone has a molecular weight of 325.80 g/mol, XLogP of 3.91, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(3-chlorophenyl)benzimidazol-5-yl]-pyrrolidin-1-ylmethanone is sourced from PubChem (CID 156810853), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).