2-[2-(hydroxymethyl)benzimidazol-1-yl]-N-methyl-N-(2-methylcyclohexyl)acetamide

C18H25N3O2 — CID 110899546

IUPAC2-[2-(hydroxymethyl)benzimidazol-1-yl]-N-methyl-N-(2-methylcyclohexyl)acetamide
SMILESCC1CCCCC1N(C)C(=O)Cn1c(CO)nc2ccccc21
InChIInChI=1S/C18H25N3O2/c1-13-7-3-5-9-15(13)20(2)18(23)11-21-16-10-6-4-8-14(16)19-17(21)12-22/h4,6,8,10,13,15,22H,3,5,7,9,11-12H2,1-2H3
InChIKeyPYLUQQGEFBXZDR-UHFFFAOYSA-N
MW315.42 g/mol
LogP2.57
Rot. Bonds4

About 2-[2-(hydroxymethyl)benzimidazol-1-yl]-N-methyl-N-(2-methylcyclohexyl)acetamide

2-[2-(hydroxymethyl)benzimidazol-1-yl]-N-methyl-N-(2-methylcyclohexyl)acetamide (PubChem CID 110899546) has the molecular formula C18H25N3O2 and a molecular weight of 315.42 g/mol. Its IUPAC name is 2-[2-(hydroxymethyl)benzimidazol-1-yl]-N-methyl-N-(2-methylcyclohexyl)acetamide.

Molecular Properties

Compound Name2-[2-(hydroxymethyl)benzimidazol-1-yl]-N-methyl-N-(2-methylcyclohexyl)acetamide
PubChem CID110899546
Molecular FormulaC18H25N3O2
Molecular Weight315.42 g/mol
Exact Mass315.19
IUPAC Name2-[2-(hydroxymethyl)benzimidazol-1-yl]-N-methyl-N-(2-methylcyclohexyl)acetamide
SMILESCC1CCCCC1N(C)C(=O)Cn1c(CO)nc2ccccc21
InChIInChI=1S/C18H25N3O2/c1-13-7-3-5-9-15(13)20(2)18(23)11-21-16-10-6-4-8-14(16)19-17(21)12-22/h4,6,8,10,13,15,22H,3,5,7,9,11-12H2,1-2H3
InChIKeyPYLUQQGEFBXZDR-UHFFFAOYSA-N
XLogP2.57
TPSA58.36 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.42
LogP ≤ 52.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(2-benzylbenzimidazol-1-yl)-N-cyclohexyl-N-methylacetamide
CID 16995633
N,N-di(butan-2-yl)-2-[2-(hydroxymethyl)benzimidazol-1-yl]acetamide
CID 16995334
N-cyclohexyl-N-methyl-2-[2-(2-phenylethyl)benzimidazol-1-yl]acetamide
CID 16999536
N-[[1-[2-[cyclohexyl(methyl)amino]-2-oxoethyl]benzimidazol-2-yl]methyl]cyclopropanecarboxamide
CID 16969915
tert-butyl 2-[2-(hydroxymethyl)benzimidazol-1-yl]acetate
CID 110885675
N-(cyclohexylmethyl)-2-(2-ethylbenzimidazol-1-yl)-N-methylacetamide
CID 55563675
N-cyclohexyl-N-methyl-2-[2-(naphthalen-1-yloxymethyl)benzimidazol-1-yl]acetamide
CID 16999431
N-cyclohexyl-N-methyl-2-[2-(4-methylphenyl)benzimidazol-1-yl]acetamide
CID 17000965
N-[3-[1-[2-[cyclohexyl(methyl)amino]-2-oxoethyl]benzimidazol-2-yl]propyl]-2-methylprop-2-enamide
CID 16986998
N-methyl-2-[2-(methylsulfanylmethyl)benzimidazol-1-yl]-N-piperidin-4-ylacetamide;dihydrochloride
CID 119441759
N-(2-cyclopentylpyrazol-3-yl)-2-[2-(hydroxymethyl)benzimidazol-1-yl]acetamide
CID 110885680
N-benzyl-N-cyclohexyl-2-(2-ethylbenzimidazol-1-yl)acetamide
CID 16996480

Frequently Asked Questions

What is the IUPAC name of 2-[2-(hydroxymethyl)benzimidazol-1-yl]-N-methyl-N-(2-methylcyclohexyl)acetamide?
The IUPAC name of 2-[2-(hydroxymethyl)benzimidazol-1-yl]-N-methyl-N-(2-methylcyclohexyl)acetamide (CID 110899546) is 2-[2-(hydroxymethyl)benzimidazol-1-yl]-N-methyl-N-(2-methylcyclohexyl)acetamide.
What is the SMILES notation for 2-[2-(hydroxymethyl)benzimidazol-1-yl]-N-methyl-N-(2-methylcyclohexyl)acetamide?
The canonical SMILES for 2-[2-(hydroxymethyl)benzimidazol-1-yl]-N-methyl-N-(2-methylcyclohexyl)acetamide is CC1CCCCC1N(C)C(=O)Cn1c(CO)nc2ccccc21.
What is the InChIKey of 2-[2-(hydroxymethyl)benzimidazol-1-yl]-N-methyl-N-(2-methylcyclohexyl)acetamide?
The InChIKey is PYLUQQGEFBXZDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25N3O2/c1-13-7-3-5-9-15(13)20(2)18(23)11-21-16-10-6-4-8-14(16)19-17(21)12-22/h4,6,8,10,13,15,22H,3,5,7,9,11-12H2,1-2H3.
What are the key properties of 2-[2-(hydroxymethyl)benzimidazol-1-yl]-N-methyl-N-(2-methylcyclohexyl)acetamide?
2-[2-(hydroxymethyl)benzimidazol-1-yl]-N-methyl-N-(2-methylcyclohexyl)acetamide has a molecular weight of 315.42 g/mol, XLogP of 2.57, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(hydroxymethyl)benzimidazol-1-yl]-N-methyl-N-(2-methylcyclohexyl)acetamide is sourced from PubChem (CID 110899546), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).