[2-(6-chloro-1H-benzimidazol-2-yl)pyrrolidin-1-yl]-(2-morpholin-4-ylphenyl)methanone

C22H23ClN4O2 — CID 131930977

IUPAC[2-(6-chloro-1H-benzimidazol-2-yl)pyrrolidin-1-yl]-(2-morpholin-4-ylphenyl)methanone
SMILESO=C(c1ccccc1N1CCOCC1)N1CCCC1c1nc2ccc(Cl)cc2[nH]1
InChIInChI=1S/C22H23ClN4O2/c23-15-7-8-17-18(14-15)25-21(24-17)20-6-3-9-27(20)22(28)16-4-1-2-5-19(16)26-10-12-29-13-11-26/h1-2,4-5,7-8,14,20H,3,6,9-13H2,(H,24,25)
InChIKeyHVQBQYZWLYGEAR-UHFFFAOYSA-N
MW410.91 g/mol
LogP4.03
Rot. Bonds3

About [2-(6-chloro-1H-benzimidazol-2-yl)pyrrolidin-1-yl]-(2-morpholin-4-ylphenyl)methanone

[2-(6-chloro-1H-benzimidazol-2-yl)pyrrolidin-1-yl]-(2-morpholin-4-ylphenyl)methanone (PubChem CID 131930977) has the molecular formula C22H23ClN4O2 and a molecular weight of 410.91 g/mol. Its IUPAC name is [2-(6-chloro-1H-benzimidazol-2-yl)pyrrolidin-1-yl]-(2-morpholin-4-ylphenyl)methanone.

Molecular Properties

Compound Name[2-(6-chloro-1H-benzimidazol-2-yl)pyrrolidin-1-yl]-(2-morpholin-4-ylphenyl)methanone
PubChem CID131930977
Molecular FormulaC22H23ClN4O2
Molecular Weight410.91 g/mol
Exact Mass410.15
IUPAC Name[2-(6-chloro-1H-benzimidazol-2-yl)pyrrolidin-1-yl]-(2-morpholin-4-ylphenyl)methanone
SMILESO=C(c1ccccc1N1CCOCC1)N1CCCC1c1nc2ccc(Cl)cc2[nH]1
InChIInChI=1S/C22H23ClN4O2/c23-15-7-8-17-18(14-15)25-21(24-17)20-6-3-9-27(20)22(28)16-4-1-2-5-19(16)26-10-12-29-13-11-26/h1-2,4-5,7-8,14,20H,3,6,9-13H2,(H,24,25)
InChIKeyHVQBQYZWLYGEAR-UHFFFAOYSA-N
XLogP4.03
TPSA61.46 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.91
LogP ≤ 54.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1H-benzimidazol-2-yl-[2-(6-chloro-1H-benzimidazol-2-yl)pyrrolidin-1-yl]methanone
CID 119064094
[(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-(1H-benzimidazol-2-yl)pyrrolidin-1-yl]-(2-chloro-4-fluorophenyl)methanone
CID 51269954
4-[(2R)-2-(6-methyl-1H-benzimidazol-2-yl)pyrrolidine-1-carbonyl]-1H-quinolin-2-one
CID 94876669
[2-(1H-benzimidazol-2-yl)pyrrolidin-1-yl]-(4,5-dichloro-1-methylpyrrol-2-yl)methanone
CID 55629262
[2-(1H-benzimidazol-2-yl)pyrrolidin-1-yl]-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)methanone
CID 51270082
[2-(dimethylamino)phenyl]-[(2R)-2-(6-fluoro-1H-benzimidazol-2-yl)piperidin-1-yl]methanone
CID 95896300
[2-(1H-imidazol-2-yl)phenyl]-[(2S)-2-(6-methyl-1H-benzimidazol-2-yl)pyrrolidin-1-yl]methanone
CID 95897284
3-[(2S)-2-(6-chloro-1H-benzimidazol-2-yl)pyrrolidin-1-yl]-1-(3,4-dihydro-1H-isoquinolin-2-yl)propan-1-one
CID 124886561
[(2S)-2-[6-[4-[2-[(2S)-1-[(2S)-oxolane-2-carbonyl]pyrrolidin-2-yl]-3H-benzimidazol-5-yl]phenyl]-1H-benzimidazol-2-yl]pyrrolidin-1-yl]-[(2S)-oxolan-2-yl]methanone
CID 46869079
4-[(2R)-2-(1H-benzimidazol-2-yl)pyrrolidine-1-carbonyl]benzoic acid
CID 25346217

Frequently Asked Questions

What is the IUPAC name of [2-(6-chloro-1H-benzimidazol-2-yl)pyrrolidin-1-yl]-(2-morpholin-4-ylphenyl)methanone?
The IUPAC name of [2-(6-chloro-1H-benzimidazol-2-yl)pyrrolidin-1-yl]-(2-morpholin-4-ylphenyl)methanone (CID 131930977) is [2-(6-chloro-1H-benzimidazol-2-yl)pyrrolidin-1-yl]-(2-morpholin-4-ylphenyl)methanone.
What is the SMILES notation for [2-(6-chloro-1H-benzimidazol-2-yl)pyrrolidin-1-yl]-(2-morpholin-4-ylphenyl)methanone?
The canonical SMILES for [2-(6-chloro-1H-benzimidazol-2-yl)pyrrolidin-1-yl]-(2-morpholin-4-ylphenyl)methanone is O=C(c1ccccc1N1CCOCC1)N1CCCC1c1nc2ccc(Cl)cc2[nH]1.
What is the InChIKey of [2-(6-chloro-1H-benzimidazol-2-yl)pyrrolidin-1-yl]-(2-morpholin-4-ylphenyl)methanone?
The InChIKey is HVQBQYZWLYGEAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23ClN4O2/c23-15-7-8-17-18(14-15)25-21(24-17)20-6-3-9-27(20)22(28)16-4-1-2-5-19(16)26-10-12-29-13-11-26/h1-2,4-5,7-8,14,20H,3,6,9-13H2,(H,24,25).
What are the key properties of [2-(6-chloro-1H-benzimidazol-2-yl)pyrrolidin-1-yl]-(2-morpholin-4-ylphenyl)methanone?
[2-(6-chloro-1H-benzimidazol-2-yl)pyrrolidin-1-yl]-(2-morpholin-4-ylphenyl)methanone has a molecular weight of 410.91 g/mol, XLogP of 4.03, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(6-chloro-1H-benzimidazol-2-yl)pyrrolidin-1-yl]-(2-morpholin-4-ylphenyl)methanone is sourced from PubChem (CID 131930977), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).