[2-(1H-benzimidazol-2-yl)pyrrolidin-1-yl]-[1-(5-chloro-2-pyridinyl)piperidin-4-yl]methanone

C22H24ClN5O — CID 55687204

IUPAC[2-(1H-benzimidazol-2-yl)pyrrolidin-1-yl]-[1-(5-chloro-2-pyridinyl)piperidin-4-yl]methanone
SMILESO=C(C1CCN(c2ccc(Cl)cn2)CC1)N1CCCC1c1nc2ccccc2[nH]1
InChIInChI=1S/C22H24ClN5O/c23-16-7-8-20(24-14-16)27-12-9-15(10-13-27)22(29)28-11-3-6-19(28)21-25-17-4-1-2-5-18(17)26-21/h1-2,4-5,7-8,14-15,19H,3,6,9-13H2,(H,25,26)
InChIKeyQGKULMQSZUGGEJ-UHFFFAOYSA-N
MW409.92 g/mol
LogP4.19
Rot. Bonds3

About [2-(1H-benzimidazol-2-yl)pyrrolidin-1-yl]-[1-(5-chloro-2-pyridinyl)piperidin-4-yl]methanone

[2-(1H-benzimidazol-2-yl)pyrrolidin-1-yl]-[1-(5-chloro-2-pyridinyl)piperidin-4-yl]methanone (PubChem CID 55687204) has the molecular formula C22H24ClN5O and a molecular weight of 409.92 g/mol. Its IUPAC name is [2-(1H-benzimidazol-2-yl)pyrrolidin-1-yl]-[1-(5-chloro-2-pyridinyl)piperidin-4-yl]methanone.

Molecular Properties

Compound Name[2-(1H-benzimidazol-2-yl)pyrrolidin-1-yl]-[1-(5-chloro-2-pyridinyl)piperidin-4-yl]methanone
PubChem CID55687204
Molecular FormulaC22H24ClN5O
Molecular Weight409.92 g/mol
Exact Mass409.17
IUPAC Name[2-(1H-benzimidazol-2-yl)pyrrolidin-1-yl]-[1-(5-chloro-2-pyridinyl)piperidin-4-yl]methanone
SMILESO=C(C1CCN(c2ccc(Cl)cn2)CC1)N1CCCC1c1nc2ccccc2[nH]1
InChIInChI=1S/C22H24ClN5O/c23-16-7-8-20(24-14-16)27-12-9-15(10-13-27)22(29)28-11-3-6-19(28)21-25-17-4-1-2-5-18(17)26-21/h1-2,4-5,7-8,14-15,19H,3,6,9-13H2,(H,25,26)
InChIKeyQGKULMQSZUGGEJ-UHFFFAOYSA-N
XLogP4.19
TPSA65.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.92
LogP ≤ 54.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[2-(1H-benzimidazol-2-yl)pyrrolidin-1-yl]ethanone
CID 43841790
1-[4-[(2R)-2-(1H-benzimidazol-2-yl)pyrrolidine-1-carbonyl]piperidin-1-yl]-2-phenylethanone
CID 95807216
1H-benzimidazol-2-yl-[2-(6-chloro-1H-benzimidazol-2-yl)pyrrolidin-1-yl]methanone
CID 119064094
1-[2-(1H-benzimidazol-2-yl)pyrrolidin-1-yl]-2-(2,4-dichlorophenyl)ethanone
CID 134061764
4-[(2S)-2-(1H-benzimidazol-2-yl)pyrrolidine-1-carbonyl]-1-methylpyrrolidin-2-one
CID 110205528
1-[(2R)-2-(1H-benzimidazol-2-yl)pyrrolidin-1-yl]-2-pyrrolidin-1-ylethanone
CID 95807203
(2R)-1-[1-(5-chloro-2-pyridinyl)piperidine-4-carbonyl]piperidine-2-carboxylic acid
CID 97317775
[2-(1H-benzimidazol-2-yl)pyrrolidin-1-yl]-[1-(2,3-dihydro-1H-inden-5-ylsulfonyl)piperidin-4-yl]methanone
CID 42923469
[2-(1H-benzimidazol-2-yl)pyrrolidin-1-yl]-(6-methyl-3-pyridinyl)methanone
CID 51331975
2-(1H-benzimidazol-2-yl)-N-pyridin-4-ylpyrrolidine-1-carboxamide
CID 138993592
4-[(2R)-2-(1H-benzimidazol-2-yl)pyrrolidine-1-carbonyl]benzoic acid
CID 25346217
[2-(1H-benzimidazol-2-yl)pyrrolidin-1-yl]-(4,5-dichloro-1-methylpyrrol-2-yl)methanone
CID 55629262

Frequently Asked Questions

What is the IUPAC name of [2-(1H-benzimidazol-2-yl)pyrrolidin-1-yl]-[1-(5-chloro-2-pyridinyl)piperidin-4-yl]methanone?
The IUPAC name of [2-(1H-benzimidazol-2-yl)pyrrolidin-1-yl]-[1-(5-chloro-2-pyridinyl)piperidin-4-yl]methanone (CID 55687204) is [2-(1H-benzimidazol-2-yl)pyrrolidin-1-yl]-[1-(5-chloro-2-pyridinyl)piperidin-4-yl]methanone.
What is the SMILES notation for [2-(1H-benzimidazol-2-yl)pyrrolidin-1-yl]-[1-(5-chloro-2-pyridinyl)piperidin-4-yl]methanone?
The canonical SMILES for [2-(1H-benzimidazol-2-yl)pyrrolidin-1-yl]-[1-(5-chloro-2-pyridinyl)piperidin-4-yl]methanone is O=C(C1CCN(c2ccc(Cl)cn2)CC1)N1CCCC1c1nc2ccccc2[nH]1.
What is the InChIKey of [2-(1H-benzimidazol-2-yl)pyrrolidin-1-yl]-[1-(5-chloro-2-pyridinyl)piperidin-4-yl]methanone?
The InChIKey is QGKULMQSZUGGEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24ClN5O/c23-16-7-8-20(24-14-16)27-12-9-15(10-13-27)22(29)28-11-3-6-19(28)21-25-17-4-1-2-5-18(17)26-21/h1-2,4-5,7-8,14-15,19H,3,6,9-13H2,(H,25,26).
What are the key properties of [2-(1H-benzimidazol-2-yl)pyrrolidin-1-yl]-[1-(5-chloro-2-pyridinyl)piperidin-4-yl]methanone?
[2-(1H-benzimidazol-2-yl)pyrrolidin-1-yl]-[1-(5-chloro-2-pyridinyl)piperidin-4-yl]methanone has a molecular weight of 409.92 g/mol, XLogP of 4.19, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(1H-benzimidazol-2-yl)pyrrolidin-1-yl]-[1-(5-chloro-2-pyridinyl)piperidin-4-yl]methanone is sourced from PubChem (CID 55687204), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).