2-methyl-2-(4-methyl-1H-benzimidazol-2-yl)cyclohexan-1-amine

C15H21N3 — CID 83213549

IUPAC2-methyl-2-(4-methyl-1H-benzimidazol-2-yl)cyclohexan-1-amine
SMILESCc1cccc2[nH]c(C3(C)CCCCC3N)nc12
InChIInChI=1S/C15H21N3/c1-10-6-5-7-11-13(10)18-14(17-11)15(2)9-4-3-8-12(15)16/h5-7,12H,3-4,8-9,16H2,1-2H3,(H,17,18)
InChIKeyICINAJMVMWUDHT-UHFFFAOYSA-N
MW243.35 g/mol
LogP3.03
Rot. Bonds1

About 2-methyl-2-(4-methyl-1H-benzimidazol-2-yl)cyclohexan-1-amine

2-methyl-2-(4-methyl-1H-benzimidazol-2-yl)cyclohexan-1-amine (PubChem CID 83213549) has the molecular formula C15H21N3 and a molecular weight of 243.35 g/mol. Its IUPAC name is 2-methyl-2-(4-methyl-1H-benzimidazol-2-yl)cyclohexan-1-amine.

Molecular Properties

Compound Name2-methyl-2-(4-methyl-1H-benzimidazol-2-yl)cyclohexan-1-amine
PubChem CID83213549
Molecular FormulaC15H21N3
Molecular Weight243.35 g/mol
Exact Mass243.17
IUPAC Name2-methyl-2-(4-methyl-1H-benzimidazol-2-yl)cyclohexan-1-amine
SMILESCc1cccc2[nH]c(C3(C)CCCCC3N)nc12
InChIInChI=1S/C15H21N3/c1-10-6-5-7-11-13(10)18-14(17-11)15(2)9-4-3-8-12(15)16/h5-7,12H,3-4,8-9,16H2,1-2H3,(H,17,18)
InChIKeyICINAJMVMWUDHT-UHFFFAOYSA-N
XLogP3.03
TPSA54.70 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.35
LogP ≤ 53.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-2-(4-methyl-1H-benzimidazol-2-yl)cyclohexan-1-amine?
The IUPAC name of 2-methyl-2-(4-methyl-1H-benzimidazol-2-yl)cyclohexan-1-amine (CID 83213549) is 2-methyl-2-(4-methyl-1H-benzimidazol-2-yl)cyclohexan-1-amine.
What is the SMILES notation for 2-methyl-2-(4-methyl-1H-benzimidazol-2-yl)cyclohexan-1-amine?
The canonical SMILES for 2-methyl-2-(4-methyl-1H-benzimidazol-2-yl)cyclohexan-1-amine is Cc1cccc2[nH]c(C3(C)CCCCC3N)nc12.
What is the InChIKey of 2-methyl-2-(4-methyl-1H-benzimidazol-2-yl)cyclohexan-1-amine?
The InChIKey is ICINAJMVMWUDHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3/c1-10-6-5-7-11-13(10)18-14(17-11)15(2)9-4-3-8-12(15)16/h5-7,12H,3-4,8-9,16H2,1-2H3,(H,17,18).
What are the key properties of 2-methyl-2-(4-methyl-1H-benzimidazol-2-yl)cyclohexan-1-amine?
2-methyl-2-(4-methyl-1H-benzimidazol-2-yl)cyclohexan-1-amine has a molecular weight of 243.35 g/mol, XLogP of 3.03, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-2-(4-methyl-1H-benzimidazol-2-yl)cyclohexan-1-amine is sourced from PubChem (CID 83213549), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).