2-(aminomethyl)-1-propan-2-ylbenzimidazol-4-amine

C11H16N4 — CID 84777995

IUPAC2-(aminomethyl)-1-propan-2-ylbenzimidazol-4-amine
SMILESCC(C)n1c(CN)nc2c(N)cccc21
InChIInChI=1S/C11H16N4/c1-7(2)15-9-5-3-4-8(13)11(9)14-10(15)6-12/h3-5,7H,6,12-13H2,1-2H3
InChIKeyPMQGHNBDAUSUAW-UHFFFAOYSA-N
MW204.28 g/mol
LogP1.66
Rot. Bonds2

About 2-(aminomethyl)-1-propan-2-ylbenzimidazol-4-amine

2-(aminomethyl)-1-propan-2-ylbenzimidazol-4-amine (PubChem CID 84777995) has the molecular formula C11H16N4 and a molecular weight of 204.28 g/mol. Its IUPAC name is 2-(aminomethyl)-1-propan-2-ylbenzimidazol-4-amine.

Molecular Properties

Compound Name2-(aminomethyl)-1-propan-2-ylbenzimidazol-4-amine
PubChem CID84777995
Molecular FormulaC11H16N4
Molecular Weight204.28 g/mol
Exact Mass204.14
IUPAC Name2-(aminomethyl)-1-propan-2-ylbenzimidazol-4-amine
SMILESCC(C)n1c(CN)nc2c(N)cccc21
InChIInChI=1S/C11H16N4/c1-7(2)15-9-5-3-4-8(13)11(9)14-10(15)6-12/h3-5,7H,6,12-13H2,1-2H3
InChIKeyPMQGHNBDAUSUAW-UHFFFAOYSA-N
XLogP1.66
TPSA69.86 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.28
LogP ≤ 51.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-benzyl-1-propan-2-ylbenzimidazol-4-amine
CID 82068006
1-propan-2-ylbenzimidazole-2,4-diamine
CID 84771598
3-(4-fluoro-1-propan-2-ylbenzimidazol-2-yl)propan-1-amine
CID 60785241
2-(2-fluorophenyl)-1-propan-2-ylbenzimidazol-4-amine
CID 82067863
2-(aminomethyl)-3-propan-2-ylbenzimidazol-5-amine
CID 84777993
4-[(4-fluoro-1-propan-2-ylbenzimidazol-2-yl)methyl]-1,3-thiazol-2-amine
CID 60784948
(1-methyl-4-propan-2-ylbenzimidazol-2-yl)methanamine
CID 84620078
2-methoxyethyl 2-(4-amino-2-ethylbenzimidazol-1-yl)propanoate
CID 82067218
2-methylpropyl 2-[4-amino-2-(methoxymethyl)benzimidazol-1-yl]propanoate
CID 82068237
1-butyl-2-(2-methylpropyl)benzimidazol-4-amine
CID 82067688
butan-2-yl 2-(4-amino-2-propylbenzimidazol-1-yl)propanoate
CID 82067301
butyl 2-(4-amino-2-propylbenzimidazol-1-yl)propanoate
CID 82067291

Frequently Asked Questions

What is the IUPAC name of 2-(aminomethyl)-1-propan-2-ylbenzimidazol-4-amine?
The IUPAC name of 2-(aminomethyl)-1-propan-2-ylbenzimidazol-4-amine (CID 84777995) is 2-(aminomethyl)-1-propan-2-ylbenzimidazol-4-amine.
What is the SMILES notation for 2-(aminomethyl)-1-propan-2-ylbenzimidazol-4-amine?
The canonical SMILES for 2-(aminomethyl)-1-propan-2-ylbenzimidazol-4-amine is CC(C)n1c(CN)nc2c(N)cccc21.
What is the InChIKey of 2-(aminomethyl)-1-propan-2-ylbenzimidazol-4-amine?
The InChIKey is PMQGHNBDAUSUAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N4/c1-7(2)15-9-5-3-4-8(13)11(9)14-10(15)6-12/h3-5,7H,6,12-13H2,1-2H3.
What are the key properties of 2-(aminomethyl)-1-propan-2-ylbenzimidazol-4-amine?
2-(aminomethyl)-1-propan-2-ylbenzimidazol-4-amine has a molecular weight of 204.28 g/mol, XLogP of 1.66, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(aminomethyl)-1-propan-2-ylbenzimidazol-4-amine is sourced from PubChem (CID 84777995), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).