1H-benzimidazol-2-yl-[2-(6-chloro-1H-benzimidazol-2-yl)pyrrolidin-1-yl]methanone

C19H16ClN5O — CID 119064094

IUPAC1H-benzimidazol-2-yl-[2-(6-chloro-1H-benzimidazol-2-yl)pyrrolidin-1-yl]methanone
SMILESO=C(c1nc2ccccc2[nH]1)N1CCCC1c1nc2ccc(Cl)cc2[nH]1
InChIInChI=1S/C19H16ClN5O/c20-11-7-8-14-15(10-11)24-17(21-14)16-6-3-9-25(16)19(26)18-22-12-4-1-2-5-13(12)23-18/h1-2,4-5,7-8,10,16H,3,6,9H2,(H,21,24)(H,22,23)
InChIKeyYSPOWTIMIYKJTB-UHFFFAOYSA-N
MW365.82 g/mol
LogP4.07
Rot. Bonds2

About 1H-benzimidazol-2-yl-[2-(6-chloro-1H-benzimidazol-2-yl)pyrrolidin-1-yl]methanone

1H-benzimidazol-2-yl-[2-(6-chloro-1H-benzimidazol-2-yl)pyrrolidin-1-yl]methanone (PubChem CID 119064094) has the molecular formula C19H16ClN5O and a molecular weight of 365.82 g/mol. Its IUPAC name is 1H-benzimidazol-2-yl-[2-(6-chloro-1H-benzimidazol-2-yl)pyrrolidin-1-yl]methanone.

Molecular Properties

Compound Name1H-benzimidazol-2-yl-[2-(6-chloro-1H-benzimidazol-2-yl)pyrrolidin-1-yl]methanone
PubChem CID119064094
Molecular FormulaC19H16ClN5O
Molecular Weight365.82 g/mol
Exact Mass365.10
IUPAC Name1H-benzimidazol-2-yl-[2-(6-chloro-1H-benzimidazol-2-yl)pyrrolidin-1-yl]methanone
SMILESO=C(c1nc2ccccc2[nH]1)N1CCCC1c1nc2ccc(Cl)cc2[nH]1
InChIInChI=1S/C19H16ClN5O/c20-11-7-8-14-15(10-11)24-17(21-14)16-6-3-9-25(16)19(26)18-22-12-4-1-2-5-13(12)23-18/h1-2,4-5,7-8,10,16H,3,6,9H2,(H,21,24)(H,22,23)
InChIKeyYSPOWTIMIYKJTB-UHFFFAOYSA-N
XLogP4.07
TPSA77.67 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.82
LogP ≤ 54.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[(2S)-2-(1H-benzimidazol-2-yl)pyrrolidine-1-carbonyl]-3H-quinazolin-4-one
CID 136851165
2-[2-(1H-benzimidazol-2-yl)pyrrolidine-1-carbonyl]-3H-quinazolin-4-one
CID 136664971
[(2S)-2-(6-chloro-1H-benzimidazol-2-yl)pyrrolidin-1-yl]-(1,2-oxazol-3-yl)methanone
CID 29214805
1-[2-(1H-benzimidazol-2-yl)pyrrolidin-1-yl]-2-(2,4-dichlorophenyl)ethanone
CID 134061764
[2-(6-chloro-1H-benzimidazol-2-yl)pyrrolidin-1-yl]-(2-morpholin-4-ylphenyl)methanone
CID 131930977
[2-(1H-benzimidazol-2-yl)pyrrolidin-1-yl]-(4,5-dichloro-1-methylpyrrol-2-yl)methanone
CID 55629262
1-[2-(1H-benzimidazol-2-yl)pyrrolidin-1-yl]ethanone
CID 43841790
4-[(2R)-2-(1H-benzimidazol-2-yl)pyrrolidine-1-carbonyl]benzoic acid
CID 25346217
[2-(1H-benzimidazol-2-yl)pyrrolidin-1-yl]-(2-chloro-4-fluorophenyl)methanone
CID 51269954
[2-(1H-benzimidazol-2-yl)pyrrolidin-1-yl]-[3-(dimethylamino)phenyl]methanone
CID 51269941
4-[2-(1H-benzimidazol-2-yl)pyrrolidine-1-carbonyl]-N-(4-chlorophenyl)benzenesulfonamide
CID 55453222
[(2S)-2-(1H-benzimidazol-2-yl)pyrrolidin-1-yl]-(1-benzofuran-2-yl)methanone
CID 40921065

Frequently Asked Questions

What is the IUPAC name of 1H-benzimidazol-2-yl-[2-(6-chloro-1H-benzimidazol-2-yl)pyrrolidin-1-yl]methanone?
The IUPAC name of 1H-benzimidazol-2-yl-[2-(6-chloro-1H-benzimidazol-2-yl)pyrrolidin-1-yl]methanone (CID 119064094) is 1H-benzimidazol-2-yl-[2-(6-chloro-1H-benzimidazol-2-yl)pyrrolidin-1-yl]methanone.
What is the SMILES notation for 1H-benzimidazol-2-yl-[2-(6-chloro-1H-benzimidazol-2-yl)pyrrolidin-1-yl]methanone?
The canonical SMILES for 1H-benzimidazol-2-yl-[2-(6-chloro-1H-benzimidazol-2-yl)pyrrolidin-1-yl]methanone is O=C(c1nc2ccccc2[nH]1)N1CCCC1c1nc2ccc(Cl)cc2[nH]1.
What is the InChIKey of 1H-benzimidazol-2-yl-[2-(6-chloro-1H-benzimidazol-2-yl)pyrrolidin-1-yl]methanone?
The InChIKey is YSPOWTIMIYKJTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16ClN5O/c20-11-7-8-14-15(10-11)24-17(21-14)16-6-3-9-25(16)19(26)18-22-12-4-1-2-5-13(12)23-18/h1-2,4-5,7-8,10,16H,3,6,9H2,(H,21,24)(H,22,23).
What are the key properties of 1H-benzimidazol-2-yl-[2-(6-chloro-1H-benzimidazol-2-yl)pyrrolidin-1-yl]methanone?
1H-benzimidazol-2-yl-[2-(6-chloro-1H-benzimidazol-2-yl)pyrrolidin-1-yl]methanone has a molecular weight of 365.82 g/mol, XLogP of 4.07, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1H-benzimidazol-2-yl-[2-(6-chloro-1H-benzimidazol-2-yl)pyrrolidin-1-yl]methanone is sourced from PubChem (CID 119064094), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).