(5-bromo-4-methyl-1H-indol-2-yl)-[4-(2,3-dihydrobenzimidazol-1-yl)piperidin-1-yl]methanone

C22H23BrN4O — CID 174599126

IUPAC(5-bromo-4-methyl-1H-indol-2-yl)-[4-(2,3-dihydrobenzimidazol-1-yl)piperidin-1-yl]methanone
SMILESCc1c(Br)ccc2[nH]c(C(=O)N3CCC(N4CNc5ccccc54)CC3)cc12
InChIInChI=1S/C22H23BrN4O/c1-14-16-12-20(25-18(16)7-6-17(14)23)22(28)26-10-8-15(9-11-26)27-13-24-19-4-2-3-5-21(19)27/h2-7,12,15,24-25H,8-11,13H2,1H3
InChIKeyIOKGYYVDTZEJCI-UHFFFAOYSA-N
MW439.36 g/mol
LogP4.73
Rot. Bonds2

About (5-bromo-4-methyl-1H-indol-2-yl)-[4-(2,3-dihydrobenzimidazol-1-yl)piperidin-1-yl]methanone

(5-bromo-4-methyl-1H-indol-2-yl)-[4-(2,3-dihydrobenzimidazol-1-yl)piperidin-1-yl]methanone (PubChem CID 174599126) has the molecular formula C22H23BrN4O and a molecular weight of 439.36 g/mol. Its IUPAC name is (5-bromo-4-methyl-1H-indol-2-yl)-[4-(2,3-dihydrobenzimidazol-1-yl)piperidin-1-yl]methanone.

Molecular Properties

Compound Name(5-bromo-4-methyl-1H-indol-2-yl)-[4-(2,3-dihydrobenzimidazol-1-yl)piperidin-1-yl]methanone
PubChem CID174599126
Molecular FormulaC22H23BrN4O
Molecular Weight439.36 g/mol
Exact Mass438.11
IUPAC Name(5-bromo-4-methyl-1H-indol-2-yl)-[4-(2,3-dihydrobenzimidazol-1-yl)piperidin-1-yl]methanone
SMILESCc1c(Br)ccc2[nH]c(C(=O)N3CCC(N4CNc5ccccc54)CC3)cc12
InChIInChI=1S/C22H23BrN4O/c1-14-16-12-20(25-18(16)7-6-17(14)23)22(28)26-10-8-15(9-11-26)27-13-24-19-4-2-3-5-21(19)27/h2-7,12,15,24-25H,8-11,13H2,1H3
InChIKeyIOKGYYVDTZEJCI-UHFFFAOYSA-N
XLogP4.73
TPSA51.37 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500439.36
LogP ≤ 54.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(4,6-dimethyl-1H-indol-2-yl)-(4-phenylpiperidin-1-yl)methanone
CID 39581120
1-[1-(6-bromo-4-fluoro-1H-indole-2-carbonyl)piperidin-4-yl]pyrrolidine-2-carboxamide
CID 86882605
N-[1-(1H-indole-2-carbonyl)piperidin-4-yl]acetamide
CID 49349124
ethyl 2-[1-(4,5-dimethyl-1H-indole-2-carbonyl)pyrrolidin-3-yl]-2-fluoroacetate
CID 126841837
1-[1-(2,4-dimethylquinoline-3-carbonyl)piperidin-4-yl]imidazolidin-2-one
CID 136545654
1-(4,5-dimethyl-1H-indole-2-carbonyl)-5-methylpiperidine-3-carboxylic acid
CID 122117522
(2R,3R)-1-(4,5-dimethyl-1H-indole-2-carbonyl)-2-methylpiperidine-3-carboxylic acid
CID 122116544
(4,4-dimethylpiperidin-1-yl)-(1H-indol-2-yl)methanone
CID 55155671
(4-bromo-7-methyl-1H-indol-2-yl)-(4-methylpiperazin-1-yl)methanone
CID 10131823
(2,3-dimethyl-1H-indol-5-yl)-(4-methylazepan-1-yl)methanone
CID 62046658
1-(4,5-dichloro-1H-indole-2-carbonyl)piperidine-4-carbonitrile
CID 49061963
(3,5-dimethylpiperidin-1-yl)-(4-fluoro-1H-indol-2-yl)methanone
CID 47151027

Frequently Asked Questions

What is the IUPAC name of (5-bromo-4-methyl-1H-indol-2-yl)-[4-(2,3-dihydrobenzimidazol-1-yl)piperidin-1-yl]methanone?
The IUPAC name of (5-bromo-4-methyl-1H-indol-2-yl)-[4-(2,3-dihydrobenzimidazol-1-yl)piperidin-1-yl]methanone (CID 174599126) is (5-bromo-4-methyl-1H-indol-2-yl)-[4-(2,3-dihydrobenzimidazol-1-yl)piperidin-1-yl]methanone.
What is the SMILES notation for (5-bromo-4-methyl-1H-indol-2-yl)-[4-(2,3-dihydrobenzimidazol-1-yl)piperidin-1-yl]methanone?
The canonical SMILES for (5-bromo-4-methyl-1H-indol-2-yl)-[4-(2,3-dihydrobenzimidazol-1-yl)piperidin-1-yl]methanone is Cc1c(Br)ccc2[nH]c(C(=O)N3CCC(N4CNc5ccccc54)CC3)cc12.
What is the InChIKey of (5-bromo-4-methyl-1H-indol-2-yl)-[4-(2,3-dihydrobenzimidazol-1-yl)piperidin-1-yl]methanone?
The InChIKey is IOKGYYVDTZEJCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23BrN4O/c1-14-16-12-20(25-18(16)7-6-17(14)23)22(28)26-10-8-15(9-11-26)27-13-24-19-4-2-3-5-21(19)27/h2-7,12,15,24-25H,8-11,13H2,1H3.
What are the key properties of (5-bromo-4-methyl-1H-indol-2-yl)-[4-(2,3-dihydrobenzimidazol-1-yl)piperidin-1-yl]methanone?
(5-bromo-4-methyl-1H-indol-2-yl)-[4-(2,3-dihydrobenzimidazol-1-yl)piperidin-1-yl]methanone has a molecular weight of 439.36 g/mol, XLogP of 4.73, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5-bromo-4-methyl-1H-indol-2-yl)-[4-(2,3-dihydrobenzimidazol-1-yl)piperidin-1-yl]methanone is sourced from PubChem (CID 174599126), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).