1H-indol-2-yl-[3-(4-methyl-1H-benzimidazol-2-yl)piperidin-1-yl]methanone

C22H22N4O — CID 70713768

IUPAC1H-indol-2-yl-[3-(4-methyl-1H-benzimidazol-2-yl)piperidin-1-yl]methanone
SMILESCc1cccc2[nH]c(C3CCCN(C(=O)c4cc5ccccc5[nH]4)C3)nc12
InChIInChI=1S/C22H22N4O/c1-14-6-4-10-18-20(14)25-21(24-18)16-8-5-11-26(13-16)22(27)19-12-15-7-2-3-9-17(15)23-19/h2-4,6-7,9-10,12,16,23H,5,8,11,13H2,1H3,(H,24,25)
InChIKeyQJEYBYIIHKCBAN-UHFFFAOYSA-N
MW358.44 g/mol
LogP4.37
Rot. Bonds2

About 1H-indol-2-yl-[3-(4-methyl-1H-benzimidazol-2-yl)piperidin-1-yl]methanone

1H-indol-2-yl-[3-(4-methyl-1H-benzimidazol-2-yl)piperidin-1-yl]methanone (PubChem CID 70713768) has the molecular formula C22H22N4O and a molecular weight of 358.44 g/mol. Its IUPAC name is 1H-indol-2-yl-[3-(4-methyl-1H-benzimidazol-2-yl)piperidin-1-yl]methanone.

Molecular Properties

Compound Name1H-indol-2-yl-[3-(4-methyl-1H-benzimidazol-2-yl)piperidin-1-yl]methanone
PubChem CID70713768
Molecular FormulaC22H22N4O
Molecular Weight358.44 g/mol
Exact Mass358.18
IUPAC Name1H-indol-2-yl-[3-(4-methyl-1H-benzimidazol-2-yl)piperidin-1-yl]methanone
SMILESCc1cccc2[nH]c(C3CCCN(C(=O)c4cc5ccccc5[nH]4)C3)nc12
InChIInChI=1S/C22H22N4O/c1-14-6-4-10-18-20(14)25-21(24-18)16-8-5-11-26(13-16)22(27)19-12-15-7-2-3-9-17(15)23-19/h2-4,6-7,9-10,12,16,23H,5,8,11,13H2,1H3,(H,24,25)
InChIKeyQJEYBYIIHKCBAN-UHFFFAOYSA-N
XLogP4.37
TPSA64.78 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.44
LogP ≤ 54.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 1H-indol-2-yl-[3-(4-methyl-1H-benzimidazol-2-yl)piperidin-1-yl]methanone 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

4,6-dimethyl-3-[(3R)-3-(4-methyl-1H-benzimidazol-2-yl)piperidine-1-carbonyl]-1H-pyridin-2-one
CID 95226071
(2,5-dimethylpyrazol-3-yl)-[3-(4-methyl-1H-benzimidazol-2-yl)piperidin-1-yl]methanone
CID 70773564
3-[2-[3-(4-methyl-1H-benzimidazol-2-yl)piperidine-1-carbonyl]phenyl]propanoic acid
CID 167686172
[(3S)-3-(4-methyl-1H-benzimidazol-2-yl)piperidin-1-yl]-(1-methylpyrazol-3-yl)methanone
CID 97149967
[(3R)-3-(4-methyl-1H-benzimidazol-2-yl)piperidin-1-yl]-(4-methyl-1,3-thiazol-5-yl)methanone
CID 96582134
[3-(4-methyl-1H-benzimidazol-2-yl)piperidin-1-yl]-(1-methyl-3-propan-2-ylpyrazol-5-yl)methanone
CID 70737912
[3-(4-methyl-1H-benzimidazol-2-yl)piperidin-1-yl]-[4-methyl-2-(methylamino)-1,3-thiazol-5-yl]methanone
CID 70711688
1-benzofuran-5-yl-[(3R)-3-(4-methyl-1H-benzimidazol-2-yl)piperidin-1-yl]methanone
CID 97131515
2-(methylamino)-1-[3-(4-methyl-1H-benzimidazol-2-yl)piperidin-1-yl]ethanone
CID 56875048
tert-butyl (3R)-3-(4-methyl-1H-benzimidazol-2-yl)piperidine-1-carboxylate
CID 66787018
[3-(4-methyl-1H-benzimidazol-2-yl)piperidin-1-yl]-[5-(trifluoromethyl)-1H-pyrazol-3-yl]methanone
CID 70768974
(1-tert-butylpyrrol-3-yl)-[3-(4-methyl-1H-benzimidazol-2-yl)piperidin-1-yl]methanone
CID 72868287

Frequently Asked Questions

What is the IUPAC name of 1H-indol-2-yl-[3-(4-methyl-1H-benzimidazol-2-yl)piperidin-1-yl]methanone?
The IUPAC name of 1H-indol-2-yl-[3-(4-methyl-1H-benzimidazol-2-yl)piperidin-1-yl]methanone (CID 70713768) is 1H-indol-2-yl-[3-(4-methyl-1H-benzimidazol-2-yl)piperidin-1-yl]methanone.
What is the SMILES notation for 1H-indol-2-yl-[3-(4-methyl-1H-benzimidazol-2-yl)piperidin-1-yl]methanone?
The canonical SMILES for 1H-indol-2-yl-[3-(4-methyl-1H-benzimidazol-2-yl)piperidin-1-yl]methanone is Cc1cccc2[nH]c(C3CCCN(C(=O)c4cc5ccccc5[nH]4)C3)nc12.
What is the InChIKey of 1H-indol-2-yl-[3-(4-methyl-1H-benzimidazol-2-yl)piperidin-1-yl]methanone?
The InChIKey is QJEYBYIIHKCBAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22N4O/c1-14-6-4-10-18-20(14)25-21(24-18)16-8-5-11-26(13-16)22(27)19-12-15-7-2-3-9-17(15)23-19/h2-4,6-7,9-10,12,16,23H,5,8,11,13H2,1H3,(H,24,25).
What are the key properties of 1H-indol-2-yl-[3-(4-methyl-1H-benzimidazol-2-yl)piperidin-1-yl]methanone?
1H-indol-2-yl-[3-(4-methyl-1H-benzimidazol-2-yl)piperidin-1-yl]methanone has a molecular weight of 358.44 g/mol, XLogP of 4.37, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1H-indol-2-yl-[3-(4-methyl-1H-benzimidazol-2-yl)piperidin-1-yl]methanone is sourced from PubChem (CID 70713768), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).