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

C23H24N4O2 — CID 24776345

IUPAC(5-methoxy-1H-indol-2-yl)-[4-(2-methylbenzimidazol-1-yl)piperidin-1-yl]methanone
SMILESCOc1ccc2[nH]c(C(=O)N3CCC(n4c(C)nc5ccccc54)CC3)cc2c1
InChIInChI=1S/C23H24N4O2/c1-15-24-20-5-3-4-6-22(20)27(15)17-9-11-26(12-10-17)23(28)21-14-16-13-18(29-2)7-8-19(16)25-21/h3-8,13-14,17,25H,9-12H2,1-2H3
InChIKeyCJFMJEUEUPHGHU-UHFFFAOYSA-N
MW388.47 g/mol
LogP4.31
Rot. Bonds3

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

(5-methoxy-1H-indol-2-yl)-[4-(2-methylbenzimidazol-1-yl)piperidin-1-yl]methanone (PubChem CID 24776345) has the molecular formula C23H24N4O2 and a molecular weight of 388.47 g/mol. Its IUPAC name is (5-methoxy-1H-indol-2-yl)-[4-(2-methylbenzimidazol-1-yl)piperidin-1-yl]methanone.

Molecular Properties

Compound Name(5-methoxy-1H-indol-2-yl)-[4-(2-methylbenzimidazol-1-yl)piperidin-1-yl]methanone
PubChem CID24776345
Molecular FormulaC23H24N4O2
Molecular Weight388.47 g/mol
Exact Mass388.19
IUPAC Name(5-methoxy-1H-indol-2-yl)-[4-(2-methylbenzimidazol-1-yl)piperidin-1-yl]methanone
SMILESCOc1ccc2[nH]c(C(=O)N3CCC(n4c(C)nc5ccccc54)CC3)cc2c1
InChIInChI=1S/C23H24N4O2/c1-15-24-20-5-3-4-6-22(20)27(15)17-9-11-26(12-10-17)23(28)21-14-16-13-18(29-2)7-8-19(16)25-21/h3-8,13-14,17,25H,9-12H2,1-2H3
InChIKeyCJFMJEUEUPHGHU-UHFFFAOYSA-N
XLogP4.31
TPSA63.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.47
LogP ≤ 54.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

Atevirdine
CID 60848
Atevirdine Mesylate
CID 60847
2-(5-methoxy-2-methyl-1H-indol-3-yl)-N-[(1S)-7-oxo-1-(5-phenyl-1H-imidazol-2-yl)octyl]acetamide
CID 24853793
(5-benzyloxy-1H-indol-2-yl)-[4-[3-(isopropylamino)-2-pyridyl]piperazin-1-yl]methanone
CID 453389
2-(5-methoxy-2-methyl-1H-indol-3-yl)-N-[(1S)-7-oxo-1-(5-phenyl-1H-imidazol-2-yl)nonyl]acetamide
CID 11700059
2-ethyl-1-{1-[(5-methoxy-1H-indol-2-yl)carbonyl]piperidin-4-yl}-1H-1,3-benzodiazole
CID 24776346
1-{1-[(5-methoxy-1H-indol-2-yl)carbonyl]piperidin-4-yl}-2-(2-methylpropyl)-1H-1,3-benzodiazole
CID 24776347
2-ethyl-1-[(3R)-1-[(5-methoxy-1H-indol-2-yl)carbonyl]pyrrolidin-3-yl]-1H-1,3-benzodiazole
CID 24776351
4-(2-(4-(1H-benzo[d]imidazole-2-carbonyl)phenoxy)pyridin-3-yl)-1-methylpyrrolidin-2-one
CID 59326873
Piperazine, 1-((6-methoxy-1H-indol-2-yl)carbonyl)-4-(3-((1-methylethyl)amino)-2-pyridinyl)-
CID 453390
2-ethyl-1-{1-[(5-methoxy-1H-indol-2-yl)carbonyl]pyrrolidin-3-yl}-1H-1,3-benzodiazole
CID 24776350
N-[(1S)-1-(6-chloro-1H-1,3-benzodiazol-2-yl)-7-oxooctyl]-2-(5-methoxy-2-methyl-1H-indol-3-yl)acetamide
CID 24853792

Frequently Asked Questions

What is the IUPAC name of (5-methoxy-1H-indol-2-yl)-[4-(2-methylbenzimidazol-1-yl)piperidin-1-yl]methanone?
The IUPAC name of (5-methoxy-1H-indol-2-yl)-[4-(2-methylbenzimidazol-1-yl)piperidin-1-yl]methanone (CID 24776345) is (5-methoxy-1H-indol-2-yl)-[4-(2-methylbenzimidazol-1-yl)piperidin-1-yl]methanone.
What is the SMILES notation for (5-methoxy-1H-indol-2-yl)-[4-(2-methylbenzimidazol-1-yl)piperidin-1-yl]methanone?
The canonical SMILES for (5-methoxy-1H-indol-2-yl)-[4-(2-methylbenzimidazol-1-yl)piperidin-1-yl]methanone is COc1ccc2[nH]c(C(=O)N3CCC(n4c(C)nc5ccccc54)CC3)cc2c1.
What is the InChIKey of (5-methoxy-1H-indol-2-yl)-[4-(2-methylbenzimidazol-1-yl)piperidin-1-yl]methanone?
The InChIKey is CJFMJEUEUPHGHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24N4O2/c1-15-24-20-5-3-4-6-22(20)27(15)17-9-11-26(12-10-17)23(28)21-14-16-13-18(29-2)7-8-19(16)25-21/h3-8,13-14,17,25H,9-12H2,1-2H3.
What are the key properties of (5-methoxy-1H-indol-2-yl)-[4-(2-methylbenzimidazol-1-yl)piperidin-1-yl]methanone?
(5-methoxy-1H-indol-2-yl)-[4-(2-methylbenzimidazol-1-yl)piperidin-1-yl]methanone has a molecular weight of 388.47 g/mol, XLogP of 4.31, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (5-methoxy-1H-indol-2-yl)-[4-(2-methylbenzimidazol-1-yl)piperidin-1-yl]methanone is sourced from PubChem (CID 24776345), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).