2-methyl-1-(2,2,3-trimethylbutyl)benzimidazol-5-amine

C15H23N3 — CID 114101961

IUPAC2-methyl-1-(2,2,3-trimethylbutyl)benzimidazol-5-amine
SMILESCc1nc2cc(N)ccc2n1CC(C)(C)C(C)C
InChIInChI=1S/C15H23N3/c1-10(2)15(4,5)9-18-11(3)17-13-8-12(16)6-7-14(13)18/h6-8,10H,9,16H2,1-5H3
InChIKeyMTMACNZDWPBPHO-UHFFFAOYSA-N
MW245.37 g/mol
LogP3.61
Rot. Bonds3

About 2-methyl-1-(2,2,3-trimethylbutyl)benzimidazol-5-amine

2-methyl-1-(2,2,3-trimethylbutyl)benzimidazol-5-amine (PubChem CID 114101961) has the molecular formula C15H23N3 and a molecular weight of 245.37 g/mol. Its IUPAC name is 2-methyl-1-(2,2,3-trimethylbutyl)benzimidazol-5-amine.

Molecular Properties

Compound Name2-methyl-1-(2,2,3-trimethylbutyl)benzimidazol-5-amine
PubChem CID114101961
Molecular FormulaC15H23N3
Molecular Weight245.37 g/mol
Exact Mass245.19
IUPAC Name2-methyl-1-(2,2,3-trimethylbutyl)benzimidazol-5-amine
SMILESCc1nc2cc(N)ccc2n1CC(C)(C)C(C)C
InChIInChI=1S/C15H23N3/c1-10(2)15(4,5)9-18-11(3)17-13-8-12(16)6-7-14(13)18/h6-8,10H,9,16H2,1-5H3
InChIKeyMTMACNZDWPBPHO-UHFFFAOYSA-N
XLogP3.61
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.37
LogP ≤ 53.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

2-methyl-1-[(6-methyl-3-pyridinyl)methyl]benzimidazol-5-amine
CID 62992193
2-(5-amino-2-methylbenzimidazol-1-yl)-N-propan-2-ylacetamide
CID 62506711
2-methylbenzimidazole-1,5-diamine
CID 83418174
2-methyl-1-(3-phenylpropyl)benzimidazol-5-amine
CID 62506548
2-methyl-1-[2-(trifluoromethylsulfanyl)ethyl]benzimidazol-5-amine
CID 114188217
6-(5-amino-2-methylbenzimidazol-1-yl)hexan-1-ol
CID 107849624
1-[(3-chlorophenyl)methyl]-2-methylbenzimidazol-5-amine
CID 62533806
2-methyl-1-(pyrimidin-4-ylmethyl)benzimidazol-5-amine
CID 114112062
1-[2-(dimethylamino)-2-methylpropyl]-2-propan-2-ylbenzimidazol-5-amine
CID 62494966
2-[2-(5-amino-2-methylbenzimidazol-1-yl)ethoxy]ethanol
CID 62499134
1-[3-(dimethylamino)propyl]-2-methylbenzimidazol-5-amine;trihydrochloride
CID 51051984
1-[(2-ethylphenyl)methyl]-2-methylbenzimidazol-5-amine
CID 64694790

Frequently Asked Questions

What is the IUPAC name of 2-methyl-1-(2,2,3-trimethylbutyl)benzimidazol-5-amine?
The IUPAC name of 2-methyl-1-(2,2,3-trimethylbutyl)benzimidazol-5-amine (CID 114101961) is 2-methyl-1-(2,2,3-trimethylbutyl)benzimidazol-5-amine.
What is the SMILES notation for 2-methyl-1-(2,2,3-trimethylbutyl)benzimidazol-5-amine?
The canonical SMILES for 2-methyl-1-(2,2,3-trimethylbutyl)benzimidazol-5-amine is Cc1nc2cc(N)ccc2n1CC(C)(C)C(C)C.
What is the InChIKey of 2-methyl-1-(2,2,3-trimethylbutyl)benzimidazol-5-amine?
The InChIKey is MTMACNZDWPBPHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N3/c1-10(2)15(4,5)9-18-11(3)17-13-8-12(16)6-7-14(13)18/h6-8,10H,9,16H2,1-5H3.
What are the key properties of 2-methyl-1-(2,2,3-trimethylbutyl)benzimidazol-5-amine?
2-methyl-1-(2,2,3-trimethylbutyl)benzimidazol-5-amine has a molecular weight of 245.37 g/mol, XLogP of 3.61, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-1-(2,2,3-trimethylbutyl)benzimidazol-5-amine is sourced from PubChem (CID 114101961), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).