7-methyl-1-(2-methylbutan-2-yl)benzimidazol-2-amine

C13H19N3 — CID 115552225

IUPAC7-methyl-1-(2-methylbutan-2-yl)benzimidazol-2-amine
SMILESCCC(C)(C)n1c(N)nc2cccc(C)c21
InChIInChI=1S/C13H19N3/c1-5-13(3,4)16-11-9(2)7-6-8-10(11)15-12(16)14/h6-8H,5H2,1-4H3,(H2,14,15)
InChIKeyKZXZTYMARTUXRQ-UHFFFAOYSA-N
MW217.32 g/mol
LogP3.07
Rot. Bonds2

About 7-methyl-1-(2-methylbutan-2-yl)benzimidazol-2-amine

7-methyl-1-(2-methylbutan-2-yl)benzimidazol-2-amine (PubChem CID 115552225) has the molecular formula C13H19N3 and a molecular weight of 217.32 g/mol. Its IUPAC name is 7-methyl-1-(2-methylbutan-2-yl)benzimidazol-2-amine.

Molecular Properties

Compound Name7-methyl-1-(2-methylbutan-2-yl)benzimidazol-2-amine
PubChem CID115552225
Molecular FormulaC13H19N3
Molecular Weight217.32 g/mol
Exact Mass217.16
IUPAC Name7-methyl-1-(2-methylbutan-2-yl)benzimidazol-2-amine
SMILESCCC(C)(C)n1c(N)nc2cccc(C)c21
InChIInChI=1S/C13H19N3/c1-5-13(3,4)16-11-9(2)7-6-8-10(11)15-12(16)14/h6-8H,5H2,1-4H3,(H2,14,15)
InChIKeyKZXZTYMARTUXRQ-UHFFFAOYSA-N
XLogP3.07
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.32
LogP ≤ 53.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1,7-dimethylbenzimidazol-2-amine;ethane
CID 170767427
2-(1,7-dimethylbenzimidazol-2-yl)butan-2-amine
CID 81456064
1-[2-(dimethylamino)ethyl]-7-methylbenzimidazol-2-amine
CID 115552143
1-N,1-N,7-trimethylbenzimidazole-1,2-diamine
CID 83017594
7-methyl-1-(2-methylsulfonylethyl)benzimidazol-2-amine
CID 115552322
3-(2-amino-7-chlorobenzimidazol-1-yl)-3-methylbutanamide
CID 114143050
1-(3-methoxypropyl)-7-methylbenzimidazol-2-amine
CID 115552278
2-(1-chloroethyl)-1-(3-ethylpentan-3-yl)-7-methylbenzimidazole
CID 115553621
7-methyl-1-(4,4,4-trifluorobutan-2-yl)benzimidazol-2-amine
CID 114129973
2-(chloromethyl)-7-methyl-1-(2,4,4-trimethylpentan-2-yl)benzimidazole
CID 115553265
1-[(4-bromophenyl)methyl]-7-methylbenzimidazol-2-amine
CID 115552239
7-methyl-3-(2-methylbutan-2-yl)imidazo[4,5-b]pyridin-2-amine
CID 79288094

Frequently Asked Questions

What is the IUPAC name of 7-methyl-1-(2-methylbutan-2-yl)benzimidazol-2-amine?
The IUPAC name of 7-methyl-1-(2-methylbutan-2-yl)benzimidazol-2-amine (CID 115552225) is 7-methyl-1-(2-methylbutan-2-yl)benzimidazol-2-amine.
What is the SMILES notation for 7-methyl-1-(2-methylbutan-2-yl)benzimidazol-2-amine?
The canonical SMILES for 7-methyl-1-(2-methylbutan-2-yl)benzimidazol-2-amine is CCC(C)(C)n1c(N)nc2cccc(C)c21.
What is the InChIKey of 7-methyl-1-(2-methylbutan-2-yl)benzimidazol-2-amine?
The InChIKey is KZXZTYMARTUXRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N3/c1-5-13(3,4)16-11-9(2)7-6-8-10(11)15-12(16)14/h6-8H,5H2,1-4H3,(H2,14,15).
What are the key properties of 7-methyl-1-(2-methylbutan-2-yl)benzimidazol-2-amine?
7-methyl-1-(2-methylbutan-2-yl)benzimidazol-2-amine has a molecular weight of 217.32 g/mol, XLogP of 3.07, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-methyl-1-(2-methylbutan-2-yl)benzimidazol-2-amine is sourced from PubChem (CID 115552225), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).