7-(aminomethyl)-1-(2-methylpropyl)benzimidazol-2-amine

C12H18N4 — CID 84786297

IUPAC7-(aminomethyl)-1-(2-methylpropyl)benzimidazol-2-amine
SMILESCC(C)Cn1c(N)nc2cccc(CN)c21
InChIInChI=1S/C12H18N4/c1-8(2)7-16-11-9(6-13)4-3-5-10(11)15-12(16)14/h3-5,8H,6-7,13H2,1-2H3,(H2,14,15)
InChIKeyLBWQLZZEXMKTBF-UHFFFAOYSA-N
MW218.30 g/mol
LogP1.73
Rot. Bonds3

About 7-(aminomethyl)-1-(2-methylpropyl)benzimidazol-2-amine

7-(aminomethyl)-1-(2-methylpropyl)benzimidazol-2-amine (PubChem CID 84786297) has the molecular formula C12H18N4 and a molecular weight of 218.30 g/mol. Its IUPAC name is 7-(aminomethyl)-1-(2-methylpropyl)benzimidazol-2-amine.

Molecular Properties

Compound Name7-(aminomethyl)-1-(2-methylpropyl)benzimidazol-2-amine
PubChem CID84786297
Molecular FormulaC12H18N4
Molecular Weight218.30 g/mol
Exact Mass218.15
IUPAC Name7-(aminomethyl)-1-(2-methylpropyl)benzimidazol-2-amine
SMILESCC(C)Cn1c(N)nc2cccc(CN)c21
InChIInChI=1S/C12H18N4/c1-8(2)7-16-11-9(6-13)4-3-5-10(11)15-12(16)14/h3-5,8H,6-7,13H2,1-2H3,(H2,14,15)
InChIKeyLBWQLZZEXMKTBF-UHFFFAOYSA-N
XLogP1.73
TPSA69.86 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.30
LogP ≤ 51.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

7-chloro-1-(3-methyl-2-propan-2-ylbutyl)benzimidazol-2-amine
CID 102906797
[1-(2-methylpropyl)benzimidazol-2-yl]methanamine;dihydrochloride
CID 163331235
N-[3-(2-amino-7-ethylbenzimidazol-1-yl)propyl]propanamide
CID 69457605
7-bromo-1-ethylbenzimidazol-2-amine
CID 84800337
1-(3-methylbutyl)imidazo[4,5-c]quinolin-2-amine
CID 103964359
7-chloro-1-(2-propan-2-yloxyethyl)benzimidazol-2-amine
CID 104763128
7-methyl-1-[(4-propan-2-ylphenyl)methyl]benzimidazol-2-amine
CID 115552424
6-(3-methyl-5-phenylimidazol-4-yl)-1-(2-methylpropyl)benzimidazol-2-amine
CID 66869292
1-(2-methylpropyl)-4-propan-2-yloxybenzimidazol-2-amine
CID 113393510
6,7-difluoro-1-(2,3,3-trimethylbutyl)benzimidazol-2-amine
CID 83143531
7-methyl-1-(4,4,4-trifluorobutan-2-yl)benzimidazol-2-amine
CID 114129973
6,7-difluoro-1-(2-methylsulfanylpropyl)benzimidazol-2-amine
CID 113466697

Frequently Asked Questions

What is the IUPAC name of 7-(aminomethyl)-1-(2-methylpropyl)benzimidazol-2-amine?
The IUPAC name of 7-(aminomethyl)-1-(2-methylpropyl)benzimidazol-2-amine (CID 84786297) is 7-(aminomethyl)-1-(2-methylpropyl)benzimidazol-2-amine.
What is the SMILES notation for 7-(aminomethyl)-1-(2-methylpropyl)benzimidazol-2-amine?
The canonical SMILES for 7-(aminomethyl)-1-(2-methylpropyl)benzimidazol-2-amine is CC(C)Cn1c(N)nc2cccc(CN)c21.
What is the InChIKey of 7-(aminomethyl)-1-(2-methylpropyl)benzimidazol-2-amine?
The InChIKey is LBWQLZZEXMKTBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N4/c1-8(2)7-16-11-9(6-13)4-3-5-10(11)15-12(16)14/h3-5,8H,6-7,13H2,1-2H3,(H2,14,15).
What are the key properties of 7-(aminomethyl)-1-(2-methylpropyl)benzimidazol-2-amine?
7-(aminomethyl)-1-(2-methylpropyl)benzimidazol-2-amine has a molecular weight of 218.30 g/mol, XLogP of 1.73, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(aminomethyl)-1-(2-methylpropyl)benzimidazol-2-amine is sourced from PubChem (CID 84786297), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).