7-tert-butyl-1-methylbenzimidazol-2-amine

C12H17N3 — CID 84620080

IUPAC7-tert-butyl-1-methylbenzimidazol-2-amine
SMILESCn1c(N)nc2cccc(C(C)(C)C)c21
InChIInChI=1S/C12H17N3/c1-12(2,3)8-6-5-7-9-10(8)15(4)11(13)14-9/h5-7H,1-4H3,(H2,13,14)
InChIKeyBLAYPWXDWCKVHA-UHFFFAOYSA-N
MW203.29 g/mol
LogP2.45
Rot. Bonds

About 7-tert-butyl-1-methylbenzimidazol-2-amine

7-tert-butyl-1-methylbenzimidazol-2-amine (PubChem CID 84620080) has the molecular formula C12H17N3 and a molecular weight of 203.29 g/mol. Its IUPAC name is 7-tert-butyl-1-methylbenzimidazol-2-amine.

Molecular Properties

Compound Name7-tert-butyl-1-methylbenzimidazol-2-amine
PubChem CID84620080
Molecular FormulaC12H17N3
Molecular Weight203.29 g/mol
Exact Mass203.14
IUPAC Name7-tert-butyl-1-methylbenzimidazol-2-amine
SMILESCn1c(N)nc2cccc(C(C)(C)C)c21
InChIInChI=1S/C12H17N3/c1-12(2,3)8-6-5-7-9-10(8)15(4)11(13)14-9/h5-7H,1-4H3,(H2,13,14)
InChIKeyBLAYPWXDWCKVHA-UHFFFAOYSA-N
XLogP2.45
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.29
LogP ≤ 52.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1,7-dimethylbenzimidazol-2-amine;ethane
CID 170767427
1-methyl-7-[(E)-prop-1-enyl]benzimidazol-2-amine
CID 141184084
1-methyl-7-nitrobenzimidazol-2-amine
CID 57386848
1-methylimidazo[4,5-f]quinoxalin-2-amine
CID 86048725
6,7-difluoro-1-methylbenzimidazol-2-amine
CID 62532542
7-methyl-1-[2-(trifluoromethyl)phenyl]benzimidazol-2-amine
CID 115552254
7-methyl-1-(2-methylbutan-2-yl)benzimidazol-2-amine
CID 115552225
3-methyl-2-(trifluoromethyl)benzimidazol-4-amine
CID 84680783
3,7-ditert-butyl-1-methylindole
CID 59882824
2-(7-methoxy-1-methylbenzimidazol-2-yl)propan-2-amine
CID 84623361
2,13-dimethyl-4,6,11,13-tetrazatricyclo[8.3.0.03,7]trideca-1(10),2,4,6,8,11-hexaene-5,12-diamine
CID 138453983
1-(2-tert-butylphenyl)-1,2,4-triazole-3,5-diamine
CID 129111184

Frequently Asked Questions

What is the IUPAC name of 7-tert-butyl-1-methylbenzimidazol-2-amine?
The IUPAC name of 7-tert-butyl-1-methylbenzimidazol-2-amine (CID 84620080) is 7-tert-butyl-1-methylbenzimidazol-2-amine.
What is the SMILES notation for 7-tert-butyl-1-methylbenzimidazol-2-amine?
The canonical SMILES for 7-tert-butyl-1-methylbenzimidazol-2-amine is Cn1c(N)nc2cccc(C(C)(C)C)c21.
What is the InChIKey of 7-tert-butyl-1-methylbenzimidazol-2-amine?
The InChIKey is BLAYPWXDWCKVHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N3/c1-12(2,3)8-6-5-7-9-10(8)15(4)11(13)14-9/h5-7H,1-4H3,(H2,13,14).
What are the key properties of 7-tert-butyl-1-methylbenzimidazol-2-amine?
7-tert-butyl-1-methylbenzimidazol-2-amine has a molecular weight of 203.29 g/mol, XLogP of 2.45, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-tert-butyl-1-methylbenzimidazol-2-amine is sourced from PubChem (CID 84620080), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).