1-(2-tert-butyl-1-methylbenzimidazol-5-yl)cyclohexan-1-amine

C18H27N3 — CID 117459990

IUPAC1-(2-tert-butyl-1-methylbenzimidazol-5-yl)cyclohexan-1-amine
SMILESCn1c(C(C)(C)C)nc2cc(C3(N)CCCCC3)ccc21
InChIInChI=1S/C18H27N3/c1-17(2,3)16-20-14-12-13(8-9-15(14)21(16)4)18(19)10-6-5-7-11-18/h8-9,12H,5-7,10-11,19H2,1-4H3
InChIKeyMPXKZGFCBSSLOQ-UHFFFAOYSA-N
MW285.44 g/mol
LogP3.99
Rot. Bonds1

About 1-(2-tert-butyl-1-methylbenzimidazol-5-yl)cyclohexan-1-amine

1-(2-tert-butyl-1-methylbenzimidazol-5-yl)cyclohexan-1-amine (PubChem CID 117459990) has the molecular formula C18H27N3 and a molecular weight of 285.44 g/mol. Its IUPAC name is 1-(2-tert-butyl-1-methylbenzimidazol-5-yl)cyclohexan-1-amine.

Molecular Properties

Compound Name1-(2-tert-butyl-1-methylbenzimidazol-5-yl)cyclohexan-1-amine
PubChem CID117459990
Molecular FormulaC18H27N3
Molecular Weight285.44 g/mol
Exact Mass285.22
IUPAC Name1-(2-tert-butyl-1-methylbenzimidazol-5-yl)cyclohexan-1-amine
SMILESCn1c(C(C)(C)C)nc2cc(C3(N)CCCCC3)ccc21
InChIInChI=1S/C18H27N3/c1-17(2,3)16-20-14-12-13(8-9-15(14)21(16)4)18(19)10-6-5-7-11-18/h8-9,12H,5-7,10-11,19H2,1-4H3
InChIKeyMPXKZGFCBSSLOQ-UHFFFAOYSA-N
XLogP3.99
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.44
LogP ≤ 53.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[1-(2-tert-butyl-1-methylbenzimidazol-5-yl)cyclohexyl]methanamine
CID 117482514
5-(1-aminocyclohexyl)-1,3-dimethylbenzimidazol-2-one
CID 117402567
1-(5-bromo-1-methylbenzimidazol-2-yl)cyclohexan-1-amine
CID 61290827
1-(5-fluoro-1-methylbenzimidazol-2-yl)cyclohexan-1-amine
CID 61290258
2-tert-butyl-1-methyl-5-propan-2-ylbenzimidazole
CID 83450237
2-tert-butyl-1-methylbenzimidazole-5-carbonitrile
CID 65034926
1-(1-cyclopropyl-2-methylbenzimidazol-5-yl)cyclobutan-1-amine
CID 117355811
2-(5-tert-butyl-1-methylbenzimidazol-2-yl)propan-2-amine
CID 84632050
2-[3-(1,2-dimethylbenzimidazol-5-yl)oxetan-3-yl]propan-2-amine
CID 116869497
6-(1-aminocyclopentyl)-3-methyl-1H-benzimidazol-2-one
CID 117334570
N-[(2-tert-butyl-1-methylbenzimidazol-5-yl)methyl]hydroxylamine
CID 117338837
2-tert-butyl-1-[(1-methylcyclopentyl)methyl]benzimidazol-5-amine
CID 63830504

Frequently Asked Questions

What is the IUPAC name of 1-(2-tert-butyl-1-methylbenzimidazol-5-yl)cyclohexan-1-amine?
The IUPAC name of 1-(2-tert-butyl-1-methylbenzimidazol-5-yl)cyclohexan-1-amine (CID 117459990) is 1-(2-tert-butyl-1-methylbenzimidazol-5-yl)cyclohexan-1-amine.
What is the SMILES notation for 1-(2-tert-butyl-1-methylbenzimidazol-5-yl)cyclohexan-1-amine?
The canonical SMILES for 1-(2-tert-butyl-1-methylbenzimidazol-5-yl)cyclohexan-1-amine is Cn1c(C(C)(C)C)nc2cc(C3(N)CCCCC3)ccc21.
What is the InChIKey of 1-(2-tert-butyl-1-methylbenzimidazol-5-yl)cyclohexan-1-amine?
The InChIKey is MPXKZGFCBSSLOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27N3/c1-17(2,3)16-20-14-12-13(8-9-15(14)21(16)4)18(19)10-6-5-7-11-18/h8-9,12H,5-7,10-11,19H2,1-4H3.
What are the key properties of 1-(2-tert-butyl-1-methylbenzimidazol-5-yl)cyclohexan-1-amine?
1-(2-tert-butyl-1-methylbenzimidazol-5-yl)cyclohexan-1-amine has a molecular weight of 285.44 g/mol, XLogP of 3.99, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-tert-butyl-1-methylbenzimidazol-5-yl)cyclohexan-1-amine is sourced from PubChem (CID 117459990), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).