4-methyl-1-(5-methyl-1-propan-2-ylbenzimidazol-2-yl)cyclohexan-1-amine

C18H27N3 — CID 61290676

IUPAC4-methyl-1-(5-methyl-1-propan-2-ylbenzimidazol-2-yl)cyclohexan-1-amine
SMILESCc1ccc2c(c1)nc(C1(N)CCC(C)CC1)n2C(C)C
InChIInChI=1S/C18H27N3/c1-12(2)21-16-6-5-14(4)11-15(16)20-17(21)18(19)9-7-13(3)8-10-18/h5-6,11-13H,7-10,19H2,1-4H3
InChIKeyVQEHPGDLGJCVEH-UHFFFAOYSA-N
MW285.44 g/mol
LogP4.29
Rot. Bonds2

About 4-methyl-1-(5-methyl-1-propan-2-ylbenzimidazol-2-yl)cyclohexan-1-amine

4-methyl-1-(5-methyl-1-propan-2-ylbenzimidazol-2-yl)cyclohexan-1-amine (PubChem CID 61290676) has the molecular formula C18H27N3 and a molecular weight of 285.44 g/mol. Its IUPAC name is 4-methyl-1-(5-methyl-1-propan-2-ylbenzimidazol-2-yl)cyclohexan-1-amine.

Molecular Properties

Compound Name4-methyl-1-(5-methyl-1-propan-2-ylbenzimidazol-2-yl)cyclohexan-1-amine
PubChem CID61290676
Molecular FormulaC18H27N3
Molecular Weight285.44 g/mol
Exact Mass285.22
IUPAC Name4-methyl-1-(5-methyl-1-propan-2-ylbenzimidazol-2-yl)cyclohexan-1-amine
SMILESCc1ccc2c(c1)nc(C1(N)CCC(C)CC1)n2C(C)C
InChIInChI=1S/C18H27N3/c1-12(2)21-16-6-5-14(4)11-15(16)20-17(21)18(19)9-7-13(3)8-10-18/h5-6,11-13H,7-10,19H2,1-4H3
InChIKeyVQEHPGDLGJCVEH-UHFFFAOYSA-N
XLogP4.29
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.44
LogP ≤ 54.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-methyl-1-(5-methyl-1-propan-2-ylbenzimidazol-2-yl)cyclohexan-1-amine?
The IUPAC name of 4-methyl-1-(5-methyl-1-propan-2-ylbenzimidazol-2-yl)cyclohexan-1-amine (CID 61290676) is 4-methyl-1-(5-methyl-1-propan-2-ylbenzimidazol-2-yl)cyclohexan-1-amine.
What is the SMILES notation for 4-methyl-1-(5-methyl-1-propan-2-ylbenzimidazol-2-yl)cyclohexan-1-amine?
The canonical SMILES for 4-methyl-1-(5-methyl-1-propan-2-ylbenzimidazol-2-yl)cyclohexan-1-amine is Cc1ccc2c(c1)nc(C1(N)CCC(C)CC1)n2C(C)C.
What is the InChIKey of 4-methyl-1-(5-methyl-1-propan-2-ylbenzimidazol-2-yl)cyclohexan-1-amine?
The InChIKey is VQEHPGDLGJCVEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27N3/c1-12(2)21-16-6-5-14(4)11-15(16)20-17(21)18(19)9-7-13(3)8-10-18/h5-6,11-13H,7-10,19H2,1-4H3.
What are the key properties of 4-methyl-1-(5-methyl-1-propan-2-ylbenzimidazol-2-yl)cyclohexan-1-amine?
4-methyl-1-(5-methyl-1-propan-2-ylbenzimidazol-2-yl)cyclohexan-1-amine has a molecular weight of 285.44 g/mol, XLogP of 4.29, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-1-(5-methyl-1-propan-2-ylbenzimidazol-2-yl)cyclohexan-1-amine is sourced from PubChem (CID 61290676), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).