1-cyclohexyl-6-[4-(dimethoxymethyl)piperidin-1-yl]benzimidazol-2-amine

C21H32N4O2 — CID 178129415

IUPAC1-cyclohexyl-6-[4-(dimethoxymethyl)piperidin-1-yl]benzimidazol-2-amine
SMILESCOC(OC)C1CCN(c2ccc3nc(N)n(C4CCCCC4)c3c2)CC1
InChIInChI=1S/C21H32N4O2/c1-26-20(27-2)15-10-12-24(13-11-15)17-8-9-18-19(14-17)25(21(22)23-18)16-6-4-3-5-7-16/h8-9,14-16,20H,3-7,10-13H2,1-2H3,(H2,22,23)
InChIKeyNNANCCGBKLIMCW-UHFFFAOYSA-N
MW372.51 g/mol
LogP3.96
Rot. Bonds5

About 1-cyclohexyl-6-[4-(dimethoxymethyl)piperidin-1-yl]benzimidazol-2-amine

1-cyclohexyl-6-[4-(dimethoxymethyl)piperidin-1-yl]benzimidazol-2-amine (PubChem CID 178129415) has the molecular formula C21H32N4O2 and a molecular weight of 372.51 g/mol. Its IUPAC name is 1-cyclohexyl-6-[4-(dimethoxymethyl)piperidin-1-yl]benzimidazol-2-amine.

Molecular Properties

Compound Name1-cyclohexyl-6-[4-(dimethoxymethyl)piperidin-1-yl]benzimidazol-2-amine
PubChem CID178129415
Molecular FormulaC21H32N4O2
Molecular Weight372.51 g/mol
Exact Mass372.25
IUPAC Name1-cyclohexyl-6-[4-(dimethoxymethyl)piperidin-1-yl]benzimidazol-2-amine
SMILESCOC(OC)C1CCN(c2ccc3nc(N)n(C4CCCCC4)c3c2)CC1
InChIInChI=1S/C21H32N4O2/c1-26-20(27-2)15-10-12-24(13-11-15)17-8-9-18-19(14-17)25(21(22)23-18)16-6-4-3-5-7-16/h8-9,14-16,20H,3-7,10-13H2,1-2H3,(H2,22,23)
InChIKeyNNANCCGBKLIMCW-UHFFFAOYSA-N
XLogP3.96
TPSA65.54 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.51
LogP ≤ 53.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

(2-amino-3-cyclohexylbenzimidazol-5-yl)-(4-methoxyphenyl)methanone
CID 70515128
1-(4-bromophenyl)-4-(dimethoxymethyl)piperidine
CID 134579327
1-cyclohexylbenzimidazole-2,5-diamine
CID 84793894
tert-butyl (3R)-4-(2-amino-3-cyclopentylbenzimidazol-5-yl)-3-methylpiperazine-1-carboxylate
CID 176629182
5-bromo-1-cyclooctyl-6-fluorobenzimidazol-2-amine
CID 66086490
6-bromo-1-(4-ethylcyclohexyl)benzimidazol-2-amine
CID 65347463
2-amino-3-cyclopropylbenzimidazole-5-carboxylic acid
CID 84785186
6-bromo-1-(oxan-4-yl)benzimidazol-2-amine
CID 65346881
6-bromo-1-(2-ethylcyclohexyl)benzimidazol-2-amine
CID 65347461
3-(2-amino-1-cyclopentylbenzimidazol-5-yl)-1,3-oxazinan-2-one
CID 126705571
methyl 2-bromo-4-[4-(dimethoxymethyl)piperidin-1-yl]benzoate
CID 162741686
2-amino-3-(1,1-dioxothian-4-yl)benzimidazole-5-carbonitrile
CID 104714851

Frequently Asked Questions

What is the IUPAC name of 1-cyclohexyl-6-[4-(dimethoxymethyl)piperidin-1-yl]benzimidazol-2-amine?
The IUPAC name of 1-cyclohexyl-6-[4-(dimethoxymethyl)piperidin-1-yl]benzimidazol-2-amine (CID 178129415) is 1-cyclohexyl-6-[4-(dimethoxymethyl)piperidin-1-yl]benzimidazol-2-amine.
What is the SMILES notation for 1-cyclohexyl-6-[4-(dimethoxymethyl)piperidin-1-yl]benzimidazol-2-amine?
The canonical SMILES for 1-cyclohexyl-6-[4-(dimethoxymethyl)piperidin-1-yl]benzimidazol-2-amine is COC(OC)C1CCN(c2ccc3nc(N)n(C4CCCCC4)c3c2)CC1.
What is the InChIKey of 1-cyclohexyl-6-[4-(dimethoxymethyl)piperidin-1-yl]benzimidazol-2-amine?
The InChIKey is NNANCCGBKLIMCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H32N4O2/c1-26-20(27-2)15-10-12-24(13-11-15)17-8-9-18-19(14-17)25(21(22)23-18)16-6-4-3-5-7-16/h8-9,14-16,20H,3-7,10-13H2,1-2H3,(H2,22,23).
What are the key properties of 1-cyclohexyl-6-[4-(dimethoxymethyl)piperidin-1-yl]benzimidazol-2-amine?
1-cyclohexyl-6-[4-(dimethoxymethyl)piperidin-1-yl]benzimidazol-2-amine has a molecular weight of 372.51 g/mol, XLogP of 3.96, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclohexyl-6-[4-(dimethoxymethyl)piperidin-1-yl]benzimidazol-2-amine is sourced from PubChem (CID 178129415), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).