2-(aminomethyl)-3-propan-2-ylbenzimidazol-5-amine

C11H16N4 — CID 84777993

IUPAC2-(aminomethyl)-3-propan-2-ylbenzimidazol-5-amine
SMILESCC(C)n1c(CN)nc2ccc(N)cc21
InChIInChI=1S/C11H16N4/c1-7(2)15-10-5-8(13)3-4-9(10)14-11(15)6-12/h3-5,7H,6,12-13H2,1-2H3
InChIKeyRHBKSSFHMXOXMB-UHFFFAOYSA-N
MW204.28 g/mol
LogP1.66
Rot. Bonds2

About 2-(aminomethyl)-3-propan-2-ylbenzimidazol-5-amine

2-(aminomethyl)-3-propan-2-ylbenzimidazol-5-amine (PubChem CID 84777993) has the molecular formula C11H16N4 and a molecular weight of 204.28 g/mol. Its IUPAC name is 2-(aminomethyl)-3-propan-2-ylbenzimidazol-5-amine.

Molecular Properties

Compound Name2-(aminomethyl)-3-propan-2-ylbenzimidazol-5-amine
PubChem CID84777993
Molecular FormulaC11H16N4
Molecular Weight204.28 g/mol
Exact Mass204.14
IUPAC Name2-(aminomethyl)-3-propan-2-ylbenzimidazol-5-amine
SMILESCC(C)n1c(CN)nc2ccc(N)cc21
InChIInChI=1S/C11H16N4/c1-7(2)15-10-5-8(13)3-4-9(10)14-11(15)6-12/h3-5,7H,6,12-13H2,1-2H3
InChIKeyRHBKSSFHMXOXMB-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'}

Analyze 2-(aminomethyl)-3-propan-2-ylbenzimidazol-5-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(6-chloro-1-propan-2-ylbenzimidazol-2-yl)methanamine;dihydrochloride
CID 112758022
(5-methyl-1-propan-2-ylbenzimidazol-2-yl)methanamine
CID 60784993
4-[(6-chloro-1-propan-2-ylbenzimidazol-2-yl)methyl]aniline
CID 115473043
(5-ethyl-1-propan-2-ylbenzimidazol-2-yl)methanamine
CID 82333500
3-butan-2-yl-2-methylbenzimidazol-5-amine
CID 133190269
3-[(1-propan-2-ylbenzimidazol-2-yl)methyl]aniline
CID 65346686
2-(aminomethyl)-1-propan-2-ylbenzimidazol-4-amine
CID 84777995
1-[(6-fluoro-1-propan-2-ylbenzimidazol-2-yl)methyl]pyrazol-4-amine
CID 62378133
2-[(6-chloro-1-propan-2-ylbenzimidazol-2-yl)methyl]butan-1-amine
CID 115473141
2-(5-methyl-1-propan-2-ylbenzimidazol-2-yl)ethanamine
CID 60785148
2-(5-chloro-1-propan-2-ylbenzimidazol-2-yl)ethanamine
CID 46310662
2-[(6-fluoro-1-propan-2-ylbenzimidazol-2-yl)methyl]aniline
CID 62535351

Frequently Asked Questions

What is the IUPAC name of 2-(aminomethyl)-3-propan-2-ylbenzimidazol-5-amine?
The IUPAC name of 2-(aminomethyl)-3-propan-2-ylbenzimidazol-5-amine (CID 84777993) is 2-(aminomethyl)-3-propan-2-ylbenzimidazol-5-amine.
What is the SMILES notation for 2-(aminomethyl)-3-propan-2-ylbenzimidazol-5-amine?
The canonical SMILES for 2-(aminomethyl)-3-propan-2-ylbenzimidazol-5-amine is CC(C)n1c(CN)nc2ccc(N)cc21.
What is the InChIKey of 2-(aminomethyl)-3-propan-2-ylbenzimidazol-5-amine?
The InChIKey is RHBKSSFHMXOXMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N4/c1-7(2)15-10-5-8(13)3-4-9(10)14-11(15)6-12/h3-5,7H,6,12-13H2,1-2H3.
What are the key properties of 2-(aminomethyl)-3-propan-2-ylbenzimidazol-5-amine?
2-(aminomethyl)-3-propan-2-ylbenzimidazol-5-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)-3-propan-2-ylbenzimidazol-5-amine is sourced from PubChem (CID 84777993), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).