2-(2-methyl-3H-benzimidazol-5-yl)-1-(5-methylspiro[6,7-dihydro-1H-imidazo[4,5-c]pyridine-4,4'-piperidine]-1'-yl)ethanone

C21H26N6O — CID 72933179

IUPAC2-(2-methyl-3H-benzimidazol-5-yl)-1-(5-methylspiro[6,7-dihydro-1H-imidazo[4,5-c]pyridine-4,4'-piperidine]-1'-yl)ethanone
SMILESCc1nc2ccc(CC(=O)N3CCC4(CC3)c3nc[nH]c3CCN4C)cc2[nH]1
InChIInChI=1S/C21H26N6O/c1-14-24-16-4-3-15(11-18(16)25-14)12-19(28)27-9-6-21(7-10-27)20-17(22-13-23-20)5-8-26(21)2/h3-4,11,13H,5-10,12H2,1-2H3,(H,22,23)(H,24,25)
InChIKeyBARFMDFUSCVLGM-UHFFFAOYSA-N
MW378.48 g/mol
LogP2.14
Rot. Bonds2

About 2-(2-methyl-3H-benzimidazol-5-yl)-1-(5-methylspiro[6,7-dihydro-1H-imidazo[4,5-c]pyridine-4,4'-piperidine]-1'-yl)ethanone

2-(2-methyl-3H-benzimidazol-5-yl)-1-(5-methylspiro[6,7-dihydro-1H-imidazo[4,5-c]pyridine-4,4'-piperidine]-1'-yl)ethanone (PubChem CID 72933179) has the molecular formula C21H26N6O and a molecular weight of 378.48 g/mol. Its IUPAC name is 2-(2-methyl-3H-benzimidazol-5-yl)-1-(5-methylspiro[6,7-dihydro-1H-imidazo[4,5-c]pyridine-4,4'-piperidine]-1'-yl)ethanone.

Molecular Properties

Compound Name2-(2-methyl-3H-benzimidazol-5-yl)-1-(5-methylspiro[6,7-dihydro-1H-imidazo[4,5-c]pyridine-4,4'-piperidine]-1'-yl)ethanone
PubChem CID72933179
Molecular FormulaC21H26N6O
Molecular Weight378.48 g/mol
Exact Mass378.22
IUPAC Name2-(2-methyl-3H-benzimidazol-5-yl)-1-(5-methylspiro[6,7-dihydro-1H-imidazo[4,5-c]pyridine-4,4'-piperidine]-1'-yl)ethanone
SMILESCc1nc2ccc(CC(=O)N3CCC4(CC3)c3nc[nH]c3CCN4C)cc2[nH]1
InChIInChI=1S/C21H26N6O/c1-14-24-16-4-3-15(11-18(16)25-14)12-19(28)27-9-6-21(7-10-27)20-17(22-13-23-20)5-8-26(21)2/h3-4,11,13H,5-10,12H2,1-2H3,(H,22,23)(H,24,25)
InChIKeyBARFMDFUSCVLGM-UHFFFAOYSA-N
XLogP2.14
TPSA80.91 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.48
LogP ≤ 52.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 2-(2-methyl-3H-benzimidazol-5-yl)-1-(5-methylspiro[6,7-dihydro-1H-imidazo[4,5-c]pyridine-4,4'-piperidine]-1'-yl)ethanone with MolForge

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Related Compounds

2-(2-methyl-3H-benzimidazol-5-yl)-1-pyrrolidin-1-ylethanone
CID 110772537
1-[4-hydroxy-4-(hydroxymethyl)piperidin-1-yl]-2-(2-methyl-3H-benzimidazol-5-yl)ethanone
CID 56744296
2,2-dimethyl-1-[4-[2-(2-methyl-3H-benzimidazol-5-yl)acetyl]piperazin-1-yl]propan-1-one
CID 110801573
(6R)-1,10-dimethyl-4-[2-(2-methyl-3H-benzimidazol-5-yl)acetyl]-1,4,10-triazaspiro[5.6]dodecan-9-one
CID 97193624
1-(3,4-dihydro-1H-isoquinolin-2-yl)-2-(2-methyl-3H-benzimidazol-5-yl)ethanone
CID 74234087
2-(2-methyl-3H-benzimidazol-5-yl)-1-[4-(pyrazine-2-carbonyl)piperazin-1-yl]ethanone
CID 110814291
7-[2-(2-methyl-3H-benzimidazol-5-yl)acetyl]-6,8-dihydro-5H-imidazo[1,2-a]pyrazine-3-carboxamide
CID 50960317
1-[(1S,5R)-8-amino-3-azabicyclo[3.2.1]octan-3-yl]-2-(2-methyl-3H-benzimidazol-5-yl)ethanone;dihydrochloride
CID 154907116
2-(4-fluorophenyl)-1-[4-(2-methyl-3H-benzimidazol-5-yl)piperazin-1-yl]ethanone
CID 110643384
methyl 4-[2-(3H-benzimidazol-5-yl)acetyl]piperazine-1-carboxylate
CID 110803448
(5-methylspiro[6,7-dihydro-1H-imidazo[4,5-c]pyridine-4,4'-piperidine]-1'-yl)-(4,5,6,7-tetrahydro-1-benzothiophen-3-yl)methanone
CID 72905582
4-methyl-6-(5-methylspiro[6,7-dihydro-1H-imidazo[4,5-c]pyridine-4,4'-piperidine]-1'-carbonyl)-1,2-dihydropyrazolo[3,4-b]pyridin-3-one
CID 72859703

Frequently Asked Questions

What is the IUPAC name of 2-(2-methyl-3H-benzimidazol-5-yl)-1-(5-methylspiro[6,7-dihydro-1H-imidazo[4,5-c]pyridine-4,4'-piperidine]-1'-yl)ethanone?
The IUPAC name of 2-(2-methyl-3H-benzimidazol-5-yl)-1-(5-methylspiro[6,7-dihydro-1H-imidazo[4,5-c]pyridine-4,4'-piperidine]-1'-yl)ethanone (CID 72933179) is 2-(2-methyl-3H-benzimidazol-5-yl)-1-(5-methylspiro[6,7-dihydro-1H-imidazo[4,5-c]pyridine-4,4'-piperidine]-1'-yl)ethanone.
What is the SMILES notation for 2-(2-methyl-3H-benzimidazol-5-yl)-1-(5-methylspiro[6,7-dihydro-1H-imidazo[4,5-c]pyridine-4,4'-piperidine]-1'-yl)ethanone?
The canonical SMILES for 2-(2-methyl-3H-benzimidazol-5-yl)-1-(5-methylspiro[6,7-dihydro-1H-imidazo[4,5-c]pyridine-4,4'-piperidine]-1'-yl)ethanone is Cc1nc2ccc(CC(=O)N3CCC4(CC3)c3nc[nH]c3CCN4C)cc2[nH]1.
What is the InChIKey of 2-(2-methyl-3H-benzimidazol-5-yl)-1-(5-methylspiro[6,7-dihydro-1H-imidazo[4,5-c]pyridine-4,4'-piperidine]-1'-yl)ethanone?
The InChIKey is BARFMDFUSCVLGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26N6O/c1-14-24-16-4-3-15(11-18(16)25-14)12-19(28)27-9-6-21(7-10-27)20-17(22-13-23-20)5-8-26(21)2/h3-4,11,13H,5-10,12H2,1-2H3,(H,22,23)(H,24,25).
What are the key properties of 2-(2-methyl-3H-benzimidazol-5-yl)-1-(5-methylspiro[6,7-dihydro-1H-imidazo[4,5-c]pyridine-4,4'-piperidine]-1'-yl)ethanone?
2-(2-methyl-3H-benzimidazol-5-yl)-1-(5-methylspiro[6,7-dihydro-1H-imidazo[4,5-c]pyridine-4,4'-piperidine]-1'-yl)ethanone has a molecular weight of 378.48 g/mol, XLogP of 2.14, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methyl-3H-benzimidazol-5-yl)-1-(5-methylspiro[6,7-dihydro-1H-imidazo[4,5-c]pyridine-4,4'-piperidine]-1'-yl)ethanone is sourced from PubChem (CID 72933179), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).