4-[3H-benzimidazol-5-ylmethyl(methyl)amino]cyclohexan-1-one

C15H19N3O — CID 117039748

IUPAC4-[3H-benzimidazol-5-ylmethyl(methyl)amino]cyclohexan-1-one
SMILESCN(Cc1ccc2nc[nH]c2c1)C1CCC(=O)CC1
InChIInChI=1S/C15H19N3O/c1-18(12-3-5-13(19)6-4-12)9-11-2-7-14-15(8-11)17-10-16-14/h2,7-8,10,12H,3-6,9H2,1H3,(H,16,17)
InChIKeyMRJRRBOTZSUJMG-UHFFFAOYSA-N
MW257.34 g/mol
LogP2.51
Rot. Bonds3

About 4-[3H-benzimidazol-5-ylmethyl(methyl)amino]cyclohexan-1-one

4-[3H-benzimidazol-5-ylmethyl(methyl)amino]cyclohexan-1-one (PubChem CID 117039748) has the molecular formula C15H19N3O and a molecular weight of 257.34 g/mol. Its IUPAC name is 4-[3H-benzimidazol-5-ylmethyl(methyl)amino]cyclohexan-1-one.

Molecular Properties

Compound Name4-[3H-benzimidazol-5-ylmethyl(methyl)amino]cyclohexan-1-one
PubChem CID117039748
Molecular FormulaC15H19N3O
Molecular Weight257.34 g/mol
Exact Mass257.15
IUPAC Name4-[3H-benzimidazol-5-ylmethyl(methyl)amino]cyclohexan-1-one
SMILESCN(Cc1ccc2nc[nH]c2c1)C1CCC(=O)CC1
InChIInChI=1S/C15H19N3O/c1-18(12-3-5-13(19)6-4-12)9-11-2-7-14-15(8-11)17-10-16-14/h2,7-8,10,12H,3-6,9H2,1H3,(H,16,17)
InChIKeyMRJRRBOTZSUJMG-UHFFFAOYSA-N
XLogP2.51
TPSA48.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.34
LogP ≤ 52.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-N-(3H-benzimidazol-5-ylmethyl)-1-N-methylcyclopentane-1,2-diamine
CID 115117527
4-[(3,4-dimethylphenyl)methyl-methylamino]cyclohexan-1-one
CID 79120330
N-(3H-benzimidazol-5-ylmethyl)-N-methylpropan-2-amine
CID 117044066
N'-(3H-benzimidazol-5-ylmethyl)-N'-methylbutane-1,4-diamine
CID 115201335
3-[3H-benzimidazol-5-ylmethyl(methyl)amino]propanenitrile
CID 115231013
3-amino-N-(3H-benzimidazol-5-ylmethyl)-N-methylcyclobutane-1-carboxamide
CID 115161615
methyl 3-[3H-benzimidazol-5-ylmethyl(methyl)amino]propanoate
CID 115232458
2-N-(3H-benzimidazol-5-ylmethyl)-2-N-methylpropane-1,2-diamine
CID 117040046
N'-(3H-benzimidazol-5-ylmethyl)-N'-ethylethane-1,2-diamine
CID 103102145
methyl 2-[3H-benzimidazol-5-ylmethyl(methyl)amino]acetate
CID 115232977
N-(3H-benzimidazol-5-ylmethyl)-2-cyano-N-methylacetamide
CID 115173212
N-(3H-benzimidazol-5-ylmethyl)-N,2-dimethyl-2-(methylamino)propanamide
CID 115165772

Frequently Asked Questions

What is the IUPAC name of 4-[3H-benzimidazol-5-ylmethyl(methyl)amino]cyclohexan-1-one?
The IUPAC name of 4-[3H-benzimidazol-5-ylmethyl(methyl)amino]cyclohexan-1-one (CID 117039748) is 4-[3H-benzimidazol-5-ylmethyl(methyl)amino]cyclohexan-1-one.
What is the SMILES notation for 4-[3H-benzimidazol-5-ylmethyl(methyl)amino]cyclohexan-1-one?
The canonical SMILES for 4-[3H-benzimidazol-5-ylmethyl(methyl)amino]cyclohexan-1-one is CN(Cc1ccc2nc[nH]c2c1)C1CCC(=O)CC1.
What is the InChIKey of 4-[3H-benzimidazol-5-ylmethyl(methyl)amino]cyclohexan-1-one?
The InChIKey is MRJRRBOTZSUJMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3O/c1-18(12-3-5-13(19)6-4-12)9-11-2-7-14-15(8-11)17-10-16-14/h2,7-8,10,12H,3-6,9H2,1H3,(H,16,17).
What are the key properties of 4-[3H-benzimidazol-5-ylmethyl(methyl)amino]cyclohexan-1-one?
4-[3H-benzimidazol-5-ylmethyl(methyl)amino]cyclohexan-1-one has a molecular weight of 257.34 g/mol, XLogP of 2.51, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3H-benzimidazol-5-ylmethyl(methyl)amino]cyclohexan-1-one is sourced from PubChem (CID 117039748), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).