[4-methyl-1-(1-methylbenzimidazol-2-yl)cyclohexyl]methanamine

C16H23N3 — CID 115441203

IUPAC[4-methyl-1-(1-methylbenzimidazol-2-yl)cyclohexyl]methanamine
SMILESCC1CCC(CN)(c2nc3ccccc3n2C)CC1
InChIInChI=1S/C16H23N3/c1-12-7-9-16(11-17,10-8-12)15-18-13-5-3-4-6-14(13)19(15)2/h3-6,12H,7-11,17H2,1-2H3
InChIKeyZKUNFFUUQZAZJM-UHFFFAOYSA-N
MW257.38 g/mol
LogP2.98
Rot. Bonds2

About [4-methyl-1-(1-methylbenzimidazol-2-yl)cyclohexyl]methanamine

[4-methyl-1-(1-methylbenzimidazol-2-yl)cyclohexyl]methanamine (PubChem CID 115441203) has the molecular formula C16H23N3 and a molecular weight of 257.38 g/mol. Its IUPAC name is [4-methyl-1-(1-methylbenzimidazol-2-yl)cyclohexyl]methanamine.

Molecular Properties

Compound Name[4-methyl-1-(1-methylbenzimidazol-2-yl)cyclohexyl]methanamine
PubChem CID115441203
Molecular FormulaC16H23N3
Molecular Weight257.38 g/mol
Exact Mass257.19
IUPAC Name[4-methyl-1-(1-methylbenzimidazol-2-yl)cyclohexyl]methanamine
SMILESCC1CCC(CN)(c2nc3ccccc3n2C)CC1
InChIInChI=1S/C16H23N3/c1-12-7-9-16(11-17,10-8-12)15-18-13-5-3-4-6-14(13)19(15)2/h3-6,12H,7-11,17H2,1-2H3
InChIKeyZKUNFFUUQZAZJM-UHFFFAOYSA-N
XLogP2.98
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.38
LogP ≤ 52.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [4-methyl-1-(1-methylbenzimidazol-2-yl)cyclohexyl]methanamine?
The IUPAC name of [4-methyl-1-(1-methylbenzimidazol-2-yl)cyclohexyl]methanamine (CID 115441203) is [4-methyl-1-(1-methylbenzimidazol-2-yl)cyclohexyl]methanamine.
What is the SMILES notation for [4-methyl-1-(1-methylbenzimidazol-2-yl)cyclohexyl]methanamine?
The canonical SMILES for [4-methyl-1-(1-methylbenzimidazol-2-yl)cyclohexyl]methanamine is CC1CCC(CN)(c2nc3ccccc3n2C)CC1.
What is the InChIKey of [4-methyl-1-(1-methylbenzimidazol-2-yl)cyclohexyl]methanamine?
The InChIKey is ZKUNFFUUQZAZJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N3/c1-12-7-9-16(11-17,10-8-12)15-18-13-5-3-4-6-14(13)19(15)2/h3-6,12H,7-11,17H2,1-2H3.
What are the key properties of [4-methyl-1-(1-methylbenzimidazol-2-yl)cyclohexyl]methanamine?
[4-methyl-1-(1-methylbenzimidazol-2-yl)cyclohexyl]methanamine has a molecular weight of 257.38 g/mol, XLogP of 2.98, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [4-methyl-1-(1-methylbenzimidazol-2-yl)cyclohexyl]methanamine is sourced from PubChem (CID 115441203), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).