1-[4-[[1-[(3-methylphenyl)methyl]benzimidazol-2-yl]methyl]piperazin-1-yl]butan-1-one

C24H30N4O — CID 164619930

IUPAC1-[4-[[1-[(3-methylphenyl)methyl]benzimidazol-2-yl]methyl]piperazin-1-yl]butan-1-one
SMILESCCCC(=O)N1CCN(Cc2nc3ccccc3n2Cc2cccc(C)c2)CC1
InChIInChI=1S/C24H30N4O/c1-3-7-24(29)27-14-12-26(13-15-27)18-23-25-21-10-4-5-11-22(21)28(23)17-20-9-6-8-19(2)16-20/h4-6,8-11,16H,3,7,12-15,17-18H2,1-2H3
InChIKeyXNGJOGAUMYCQPY-UHFFFAOYSA-N
MW390.53 g/mol
LogP3.84
Rot. Bonds6

About 1-[4-[[1-[(3-methylphenyl)methyl]benzimidazol-2-yl]methyl]piperazin-1-yl]butan-1-one

1-[4-[[1-[(3-methylphenyl)methyl]benzimidazol-2-yl]methyl]piperazin-1-yl]butan-1-one (PubChem CID 164619930) has the molecular formula C24H30N4O and a molecular weight of 390.53 g/mol. Its IUPAC name is 1-[4-[[1-[(3-methylphenyl)methyl]benzimidazol-2-yl]methyl]piperazin-1-yl]butan-1-one.

Molecular Properties

Compound Name1-[4-[[1-[(3-methylphenyl)methyl]benzimidazol-2-yl]methyl]piperazin-1-yl]butan-1-one
PubChem CID164619930
Molecular FormulaC24H30N4O
Molecular Weight390.53 g/mol
Exact Mass390.24
IUPAC Name1-[4-[[1-[(3-methylphenyl)methyl]benzimidazol-2-yl]methyl]piperazin-1-yl]butan-1-one
SMILESCCCC(=O)N1CCN(Cc2nc3ccccc3n2Cc2cccc(C)c2)CC1
InChIInChI=1S/C24H30N4O/c1-3-7-24(29)27-14-12-26(13-15-27)18-23-25-21-10-4-5-11-22(21)28(23)17-20-9-6-8-19(2)16-20/h4-6,8-11,16H,3,7,12-15,17-18H2,1-2H3
InChIKeyXNGJOGAUMYCQPY-UHFFFAOYSA-N
XLogP3.84
TPSA41.37 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.53
LogP ≤ 53.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 1-[4-[[1-[(3-methylphenyl)methyl]benzimidazol-2-yl]methyl]piperazin-1-yl]butan-1-one with MolForge

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Related Compounds

3-methyl-1-[4-[[1-[(3-methylphenyl)methyl]benzimidazol-2-yl]methyl]piperazin-1-yl]butan-1-one
CID 164623198
1-[(3-methylphenyl)methyl]-2-(2-phenylethyl)benzimidazole
CID 18878943
1-[4-[(3-methoxyphenyl)methyl]piperazin-1-yl]-3-(2-methylbenzimidazol-1-yl)propan-1-one
CID 131943539
1-(4-benzylpiperazin-1-yl)butan-1-one
CID 874457
4-[(1-ethylbenzimidazol-2-yl)methyl]-N,N-dimethylpiperazine-1-carboxamide
CID 75438563
5-[4-[(3-methylphenyl)methyl]piperazin-1-yl]-5-oxopentanamide
CID 86776999
N-[2-[1-[(3-methylphenyl)methyl]benzimidazol-2-yl]ethyl]cyclopropanecarboxamide
CID 16975159
1-[4-[(1-benzyl-6-chlorobenzimidazol-2-yl)methyl]piperazin-1-yl]ethanone
CID 134084276
1-[4-[(1-ethylbenzimidazol-2-yl)methyl]-1,4-diazepan-1-yl]-2-methoxyethanone
CID 77088299
2-methyl-N-[2-[1-[(3-methylphenyl)methyl]benzimidazol-2-yl]ethyl]prop-2-enamide
CID 16980386
ethyl 1-[(1-benzylbenzimidazol-2-yl)methyl]piperidine-4-carboxylate
CID 134084341
1-benzyl-2-[[4-(naphthalen-1-ylmethyl)piperazin-1-yl]methyl]benzimidazole
CID 58780374

Frequently Asked Questions

What is the IUPAC name of 1-[4-[[1-[(3-methylphenyl)methyl]benzimidazol-2-yl]methyl]piperazin-1-yl]butan-1-one?
The IUPAC name of 1-[4-[[1-[(3-methylphenyl)methyl]benzimidazol-2-yl]methyl]piperazin-1-yl]butan-1-one (CID 164619930) is 1-[4-[[1-[(3-methylphenyl)methyl]benzimidazol-2-yl]methyl]piperazin-1-yl]butan-1-one.
What is the SMILES notation for 1-[4-[[1-[(3-methylphenyl)methyl]benzimidazol-2-yl]methyl]piperazin-1-yl]butan-1-one?
The canonical SMILES for 1-[4-[[1-[(3-methylphenyl)methyl]benzimidazol-2-yl]methyl]piperazin-1-yl]butan-1-one is CCCC(=O)N1CCN(Cc2nc3ccccc3n2Cc2cccc(C)c2)CC1.
What is the InChIKey of 1-[4-[[1-[(3-methylphenyl)methyl]benzimidazol-2-yl]methyl]piperazin-1-yl]butan-1-one?
The InChIKey is XNGJOGAUMYCQPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H30N4O/c1-3-7-24(29)27-14-12-26(13-15-27)18-23-25-21-10-4-5-11-22(21)28(23)17-20-9-6-8-19(2)16-20/h4-6,8-11,16H,3,7,12-15,17-18H2,1-2H3.
What are the key properties of 1-[4-[[1-[(3-methylphenyl)methyl]benzimidazol-2-yl]methyl]piperazin-1-yl]butan-1-one?
1-[4-[[1-[(3-methylphenyl)methyl]benzimidazol-2-yl]methyl]piperazin-1-yl]butan-1-one has a molecular weight of 390.53 g/mol, XLogP of 3.84, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[[1-[(3-methylphenyl)methyl]benzimidazol-2-yl]methyl]piperazin-1-yl]butan-1-one is sourced from PubChem (CID 164619930), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).