[4-(benzimidazol-1-yl)piperidin-1-yl]-(5-methoxy-1H-indol-2-yl)methanone

C22H22N4O2 — CID 24776344

IUPAC[4-(benzimidazol-1-yl)piperidin-1-yl]-(5-methoxy-1H-indol-2-yl)methanone
SMILESCOc1ccc2[nH]c(C(=O)N3CCC(n4cnc5ccccc54)CC3)cc2c1
InChIInChI=1S/C22H22N4O2/c1-28-17-6-7-18-15(12-17)13-20(24-18)22(27)25-10-8-16(9-11-25)26-14-23-19-4-2-3-5-21(19)26/h2-7,12-14,16,24H,8-11H2,1H3
InChIKeyZTWRYQYSGZSPLJ-UHFFFAOYSA-N
MW374.44 g/mol
LogP4.00
Rot. Bonds3

About [4-(benzimidazol-1-yl)piperidin-1-yl]-(5-methoxy-1H-indol-2-yl)methanone

[4-(benzimidazol-1-yl)piperidin-1-yl]-(5-methoxy-1H-indol-2-yl)methanone (PubChem CID 24776344) has the molecular formula C22H22N4O2 and a molecular weight of 374.44 g/mol. Its IUPAC name is [4-(benzimidazol-1-yl)piperidin-1-yl]-(5-methoxy-1H-indol-2-yl)methanone.

Molecular Properties

Compound Name[4-(benzimidazol-1-yl)piperidin-1-yl]-(5-methoxy-1H-indol-2-yl)methanone
PubChem CID24776344
Molecular FormulaC22H22N4O2
Molecular Weight374.44 g/mol
Exact Mass374.17
IUPAC Name[4-(benzimidazol-1-yl)piperidin-1-yl]-(5-methoxy-1H-indol-2-yl)methanone
SMILESCOc1ccc2[nH]c(C(=O)N3CCC(n4cnc5ccccc54)CC3)cc2c1
InChIInChI=1S/C22H22N4O2/c1-28-17-6-7-18-15(12-17)13-20(24-18)22(27)25-10-8-16(9-11-25)26-14-23-19-4-2-3-5-21(19)26/h2-7,12-14,16,24H,8-11H2,1H3
InChIKeyZTWRYQYSGZSPLJ-UHFFFAOYSA-N
XLogP4.00
TPSA63.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.44
LogP ≤ 54.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze [4-(benzimidazol-1-yl)piperidin-1-yl]-(5-methoxy-1H-indol-2-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

Atevirdine
CID 60848
Atevirdine Mesylate
CID 60847
[1-(4-Methoxyphenyl)benzimidazol-5-yl]-piperidin-1-ylmethanone
CID 3474778
2-(5-methoxy-2-methyl-1H-indol-3-yl)-N-[(1S)-7-oxo-1-(5-phenyl-1H-imidazol-2-yl)octyl]acetamide
CID 24853793
Piperazine, 1-((5-hydroxy-1H-indol-2-yl)carbonyl)-4-(3-((1-methylethyl)amino)-2-pyridinyl)-
CID 453385
(5-benzyloxy-1H-indol-2-yl)-[4-[3-(isopropylamino)-2-pyridyl]piperazin-1-yl]methanone
CID 453389
Piperazine, 1-(3-(ethylamino)-2-pyridinyl)-4-((5-hydroxy-1H-indol-2-yl)carbonyl)-
CID 454723
2-(5-methoxy-2-methyl-1H-indol-3-yl)-N-[(1S)-7-oxo-1-(5-phenyl-1H-imidazol-2-yl)nonyl]acetamide
CID 11700059
N-methyl-4-{[2-({3-[2-(pyrrolidin-1-yl)ethoxy]-5-(trifluoromethyl)phenyl}amino)-1H-1,3-benzodiazol-5-yl]oxy}pyridine-2-carboxamide
CID 17755213
4-({2-[(2-tert-butylphenyl)(methyl)amino]-1H-1,3-benzodiazol-5-yl}oxy)-N-methylpyridine-2-carboxamide
CID 22040783
N-methyl-4-[(2-{[2-(trifluoromethyl)phenyl]amino}-1H-1,3-benzodiazol-5-yl)oxy]pyridine-2-carboxamide
CID 22040857
N-methyl-4-[(2-{methyl[2-(trifluoromethyl)phenyl]amino}-1H-1,3-benzodiazol-5-yl)oxy]pyridine-2-carboxamide
CID 22040937

Frequently Asked Questions

What is the IUPAC name of [4-(benzimidazol-1-yl)piperidin-1-yl]-(5-methoxy-1H-indol-2-yl)methanone?
The IUPAC name of [4-(benzimidazol-1-yl)piperidin-1-yl]-(5-methoxy-1H-indol-2-yl)methanone (CID 24776344) is [4-(benzimidazol-1-yl)piperidin-1-yl]-(5-methoxy-1H-indol-2-yl)methanone.
What is the SMILES notation for [4-(benzimidazol-1-yl)piperidin-1-yl]-(5-methoxy-1H-indol-2-yl)methanone?
The canonical SMILES for [4-(benzimidazol-1-yl)piperidin-1-yl]-(5-methoxy-1H-indol-2-yl)methanone is COc1ccc2[nH]c(C(=O)N3CCC(n4cnc5ccccc54)CC3)cc2c1.
What is the InChIKey of [4-(benzimidazol-1-yl)piperidin-1-yl]-(5-methoxy-1H-indol-2-yl)methanone?
The InChIKey is ZTWRYQYSGZSPLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22N4O2/c1-28-17-6-7-18-15(12-17)13-20(24-18)22(27)25-10-8-16(9-11-25)26-14-23-19-4-2-3-5-21(19)26/h2-7,12-14,16,24H,8-11H2,1H3.
What are the key properties of [4-(benzimidazol-1-yl)piperidin-1-yl]-(5-methoxy-1H-indol-2-yl)methanone?
[4-(benzimidazol-1-yl)piperidin-1-yl]-(5-methoxy-1H-indol-2-yl)methanone has a molecular weight of 374.44 g/mol, XLogP of 4.00, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(benzimidazol-1-yl)piperidin-1-yl]-(5-methoxy-1H-indol-2-yl)methanone is sourced from PubChem (CID 24776344), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).