[2-(benzimidazol-1-ylmethyl)phenyl]-(3-piperidin-1-ylpyrrolidin-1-yl)methanone

C24H28N4O — CID 58970778

IUPAC[2-(benzimidazol-1-ylmethyl)phenyl]-(3-piperidin-1-ylpyrrolidin-1-yl)methanone
SMILESO=C(c1ccccc1Cn1cnc2ccccc21)N1CCC(N2CCCCC2)C1
InChIInChI=1S/C24H28N4O/c29-24(27-15-12-20(17-27)26-13-6-1-7-14-26)21-9-3-2-8-19(21)16-28-18-25-22-10-4-5-11-23(22)28/h2-5,8-11,18,20H,1,6-7,12-17H2
InChIKeySZGMQVBALULKTP-UHFFFAOYSA-N
MW388.52 g/mol
LogP3.79
Rot. Bonds4

About [2-(benzimidazol-1-ylmethyl)phenyl]-(3-piperidin-1-ylpyrrolidin-1-yl)methanone

[2-(benzimidazol-1-ylmethyl)phenyl]-(3-piperidin-1-ylpyrrolidin-1-yl)methanone (PubChem CID 58970778) has the molecular formula C24H28N4O and a molecular weight of 388.52 g/mol. Its IUPAC name is [2-(benzimidazol-1-ylmethyl)phenyl]-(3-piperidin-1-ylpyrrolidin-1-yl)methanone.

Molecular Properties

Compound Name[2-(benzimidazol-1-ylmethyl)phenyl]-(3-piperidin-1-ylpyrrolidin-1-yl)methanone
PubChem CID58970778
Molecular FormulaC24H28N4O
Molecular Weight388.52 g/mol
Exact Mass388.23
IUPAC Name[2-(benzimidazol-1-ylmethyl)phenyl]-(3-piperidin-1-ylpyrrolidin-1-yl)methanone
SMILESO=C(c1ccccc1Cn1cnc2ccccc21)N1CCC(N2CCCCC2)C1
InChIInChI=1S/C24H28N4O/c29-24(27-15-12-20(17-27)26-13-6-1-7-14-26)21-9-3-2-8-19(21)16-28-18-25-22-10-4-5-11-23(22)28/h2-5,8-11,18,20H,1,6-7,12-17H2
InChIKeySZGMQVBALULKTP-UHFFFAOYSA-N
XLogP3.79
TPSA41.37 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.52
LogP ≤ 53.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-[[4-[[(3S)-3-pyrrolidin-1-ylpyrrolidin-1-yl]methyl]phenyl]methyl]benzimidazole
CID 25031243
(2-iodophenyl)-(3-pyrrolidin-1-ylpyrrolidin-1-yl)methanone
CID 62947262
(2-amino-3-pyridinyl)-(3-pyrrolidin-1-ylpyrrolidin-1-yl)methanone
CID 63174890
1-[1-[2-(benzimidazol-1-yl)acetyl]azetidin-3-yl]piperidine-4-carboxamide
CID 121153996
3-(benzimidazol-1-yl)-1-[4-[(3S)-3-hydroxypiperidin-1-yl]piperidin-1-yl]propan-1-one
CID 95893607
[3-(azepan-1-yl)piperidin-1-yl]-(2H-benzotriazol-4-yl)methanone
CID 119034600
2-(3-pyrrolidin-1-ylpyrrolidine-1-carbonyl)pyridine-3-carboxylic acid
CID 63614455
2-(benzimidazol-1-yl)-1-[(3S,4S)-3-hydroxy-4-pyrrolidin-1-ylpyrrolidin-1-yl]ethanone
CID 91779865
2-(benzimidazol-1-yl)-1-[4-(triazol-2-yl)piperidin-1-yl]ethanone
CID 121164964
1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl-(2-piperidin-1-yl-3-pyridinyl)methanone
CID 56821345
[4-(2-methylbenzimidazol-1-yl)phenyl]-[(3S)-3-pyrrolidin-1-ylpyrrolidin-1-yl]methanone
CID 24896761
2-(benzimidazol-1-yl)-1-[4-[4-(1,3-thiazol-2-yloxy)piperidin-1-yl]piperidin-1-yl]ethanone
CID 90617825

Frequently Asked Questions

What is the IUPAC name of [2-(benzimidazol-1-ylmethyl)phenyl]-(3-piperidin-1-ylpyrrolidin-1-yl)methanone?
The IUPAC name of [2-(benzimidazol-1-ylmethyl)phenyl]-(3-piperidin-1-ylpyrrolidin-1-yl)methanone (CID 58970778) is [2-(benzimidazol-1-ylmethyl)phenyl]-(3-piperidin-1-ylpyrrolidin-1-yl)methanone.
What is the SMILES notation for [2-(benzimidazol-1-ylmethyl)phenyl]-(3-piperidin-1-ylpyrrolidin-1-yl)methanone?
The canonical SMILES for [2-(benzimidazol-1-ylmethyl)phenyl]-(3-piperidin-1-ylpyrrolidin-1-yl)methanone is O=C(c1ccccc1Cn1cnc2ccccc21)N1CCC(N2CCCCC2)C1.
What is the InChIKey of [2-(benzimidazol-1-ylmethyl)phenyl]-(3-piperidin-1-ylpyrrolidin-1-yl)methanone?
The InChIKey is SZGMQVBALULKTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H28N4O/c29-24(27-15-12-20(17-27)26-13-6-1-7-14-26)21-9-3-2-8-19(21)16-28-18-25-22-10-4-5-11-23(22)28/h2-5,8-11,18,20H,1,6-7,12-17H2.
What are the key properties of [2-(benzimidazol-1-ylmethyl)phenyl]-(3-piperidin-1-ylpyrrolidin-1-yl)methanone?
[2-(benzimidazol-1-ylmethyl)phenyl]-(3-piperidin-1-ylpyrrolidin-1-yl)methanone has a molecular weight of 388.52 g/mol, XLogP of 3.79, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(benzimidazol-1-ylmethyl)phenyl]-(3-piperidin-1-ylpyrrolidin-1-yl)methanone is sourced from PubChem (CID 58970778), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).