2-indol-1-yl-1-[3-(1-methylbenzimidazol-2-yl)piperidin-1-yl]ethanone

C23H24N4O — CID 91947010

IUPAC2-indol-1-yl-1-[3-(1-methylbenzimidazol-2-yl)piperidin-1-yl]ethanone
SMILESCn1c(C2CCCN(C(=O)Cn3ccc4ccccc43)C2)nc2ccccc21
InChIInChI=1S/C23H24N4O/c1-25-21-11-5-3-9-19(21)24-23(25)18-8-6-13-27(15-18)22(28)16-26-14-12-17-7-2-4-10-20(17)26/h2-5,7,9-12,14,18H,6,8,13,15-16H2,1H3
InChIKeyJCDLSHACMQZNKH-UHFFFAOYSA-N
MW372.47 g/mol
LogP3.93
Rot. Bonds3

About 2-indol-1-yl-1-[3-(1-methylbenzimidazol-2-yl)piperidin-1-yl]ethanone

2-indol-1-yl-1-[3-(1-methylbenzimidazol-2-yl)piperidin-1-yl]ethanone (PubChem CID 91947010) has the molecular formula C23H24N4O and a molecular weight of 372.47 g/mol. Its IUPAC name is 2-indol-1-yl-1-[3-(1-methylbenzimidazol-2-yl)piperidin-1-yl]ethanone.

Molecular Properties

Compound Name2-indol-1-yl-1-[3-(1-methylbenzimidazol-2-yl)piperidin-1-yl]ethanone
PubChem CID91947010
Molecular FormulaC23H24N4O
Molecular Weight372.47 g/mol
Exact Mass372.20
IUPAC Name2-indol-1-yl-1-[3-(1-methylbenzimidazol-2-yl)piperidin-1-yl]ethanone
SMILESCn1c(C2CCCN(C(=O)Cn3ccc4ccccc43)C2)nc2ccccc21
InChIInChI=1S/C23H24N4O/c1-25-21-11-5-3-9-19(21)24-23(25)18-8-6-13-27(15-18)22(28)16-26-14-12-17-7-2-4-10-20(17)26/h2-5,7,9-12,14,18H,6,8,13,15-16H2,1H3
InChIKeyJCDLSHACMQZNKH-UHFFFAOYSA-N
XLogP3.93
TPSA43.06 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.47
LogP ≤ 53.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 2-indol-1-yl-1-[3-(1-methylbenzimidazol-2-yl)piperidin-1-yl]ethanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-[3-(1-methylbenzimidazol-2-yl)piperidin-1-yl]-2-(2-methylindol-1-yl)ethanone
CID 91947110
5-[1-(2-indol-1-ylacetyl)piperidin-3-yl]-2-methyl-4-phenyl-1,2,4-triazol-3-one
CID 90540828
2-indol-1-yl-1-(3-methylpiperidin-1-yl)ethanone
CID 110702436
N-[2-[3-(1-methylbenzimidazol-2-yl)piperidin-1-yl]-2-oxoethyl]cyclopropanecarboxamide
CID 91947054
1-[3-(1-methylbenzimidazol-2-yl)piperidin-1-yl]-2-thiophen-2-ylethanone
CID 91947147
3-[2-[(3S)-3-(1-methylbenzimidazol-2-yl)piperidin-1-yl]-2-oxoethyl]-1,3-diazinane-2,4-dione
CID 97275588
2-(3,5-dimethylphenoxy)-1-[3-(1-methylbenzimidazol-2-yl)piperidin-1-yl]ethanone
CID 91946926
[3-(1-methylbenzimidazol-2-yl)piperidin-1-yl]-(4-methylphenyl)methanone
CID 91947140
2-indol-1-yl-1-pyrrolidin-1-ylethanone
CID 5191246
2-[5-[(3S)-1-(2-indol-1-ylacetyl)piperidin-3-yl]pyrazol-1-yl]acetic acid
CID 126429492
[3-(1-methylbenzimidazol-2-yl)piperidin-1-yl]-pyridin-2-ylmethanone
CID 91947190
[3-(1-methylbenzimidazol-2-yl)piperidin-1-yl]-(2-methylquinolin-3-yl)methanone
CID 91947009

Frequently Asked Questions

What is the IUPAC name of 2-indol-1-yl-1-[3-(1-methylbenzimidazol-2-yl)piperidin-1-yl]ethanone?
The IUPAC name of 2-indol-1-yl-1-[3-(1-methylbenzimidazol-2-yl)piperidin-1-yl]ethanone (CID 91947010) is 2-indol-1-yl-1-[3-(1-methylbenzimidazol-2-yl)piperidin-1-yl]ethanone.
What is the SMILES notation for 2-indol-1-yl-1-[3-(1-methylbenzimidazol-2-yl)piperidin-1-yl]ethanone?
The canonical SMILES for 2-indol-1-yl-1-[3-(1-methylbenzimidazol-2-yl)piperidin-1-yl]ethanone is Cn1c(C2CCCN(C(=O)Cn3ccc4ccccc43)C2)nc2ccccc21.
What is the InChIKey of 2-indol-1-yl-1-[3-(1-methylbenzimidazol-2-yl)piperidin-1-yl]ethanone?
The InChIKey is JCDLSHACMQZNKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24N4O/c1-25-21-11-5-3-9-19(21)24-23(25)18-8-6-13-27(15-18)22(28)16-26-14-12-17-7-2-4-10-20(17)26/h2-5,7,9-12,14,18H,6,8,13,15-16H2,1H3.
What are the key properties of 2-indol-1-yl-1-[3-(1-methylbenzimidazol-2-yl)piperidin-1-yl]ethanone?
2-indol-1-yl-1-[3-(1-methylbenzimidazol-2-yl)piperidin-1-yl]ethanone has a molecular weight of 372.47 g/mol, XLogP of 3.93, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-indol-1-yl-1-[3-(1-methylbenzimidazol-2-yl)piperidin-1-yl]ethanone is sourced from PubChem (CID 91947010), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).