2-methyl-1-(2-methyl-3H-benzimidazol-5-yl)propan-1-amine

C12H17N3 — CID 82491804

IUPAC2-methyl-1-(2-methyl-3H-benzimidazol-5-yl)propan-1-amine
SMILESCc1nc2ccc(C(N)C(C)C)cc2[nH]1
InChIInChI=1S/C12H17N3/c1-7(2)12(13)9-4-5-10-11(6-9)15-8(3)14-10/h4-7,12H,13H2,1-3H3,(H,14,15)
InChIKeyJEJVLIMRNWEQLD-UHFFFAOYSA-N
MW203.29 g/mol
LogP2.53
Rot. Bonds2

About 2-methyl-1-(2-methyl-3H-benzimidazol-5-yl)propan-1-amine

2-methyl-1-(2-methyl-3H-benzimidazol-5-yl)propan-1-amine (PubChem CID 82491804) has the molecular formula C12H17N3 and a molecular weight of 203.29 g/mol. Its IUPAC name is 2-methyl-1-(2-methyl-3H-benzimidazol-5-yl)propan-1-amine.

Molecular Properties

Compound Name2-methyl-1-(2-methyl-3H-benzimidazol-5-yl)propan-1-amine
PubChem CID82491804
Molecular FormulaC12H17N3
Molecular Weight203.29 g/mol
Exact Mass203.14
IUPAC Name2-methyl-1-(2-methyl-3H-benzimidazol-5-yl)propan-1-amine
SMILESCc1nc2ccc(C(N)C(C)C)cc2[nH]1
InChIInChI=1S/C12H17N3/c1-7(2)12(13)9-4-5-10-11(6-9)15-8(3)14-10/h4-7,12H,13H2,1-3H3,(H,14,15)
InChIKeyJEJVLIMRNWEQLD-UHFFFAOYSA-N
XLogP2.53
TPSA54.70 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.29
LogP ≤ 52.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 2-methyl-1-(2-methyl-3H-benzimidazol-5-yl)propan-1-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

2-methyl-6-propan-2-yl-1H-benzimidazole
CID 21069154
hydrazinyl-(2-methyl-3H-benzimidazol-5-yl)methanamine
CID 116947494
2,2,2-trifluoro-1-(2-methyl-3H-benzimidazol-5-yl)ethanamine
CID 116947203
3,4-diamino-4-(2-methyl-3H-benzimidazol-5-yl)butanoic acid
CID 116942840
3-amino-3-(2-methyl-3H-benzimidazol-5-yl)propane-1-thiol
CID 116831290
ethyl 6-(1-amino-2-methylpropyl)-1H-benzimidazole-2-carboxylate
CID 70140706
1-(2-methyl-3H-benzimidazol-5-yl)propane-1,2,3-triol
CID 170818053
4-[amino-(2-methyl-3H-benzimidazol-5-yl)methyl]-N-methylaniline
CID 116936897
methylamino-(2-methyl-3H-benzimidazol-5-yl)methanol
CID 116954709
1-[amino-(2-methyl-3H-benzimidazol-5-yl)methyl]cyclopropane-1-carbonitrile
CID 116942996
3-amino-N-methyl-3-(2-methyl-3H-benzimidazol-5-yl)propanamide
CID 116850693
[1-(methylaminomethyl)cyclopropyl]-(2-methyl-3H-benzimidazol-5-yl)methanamine
CID 116943582

Frequently Asked Questions

What is the IUPAC name of 2-methyl-1-(2-methyl-3H-benzimidazol-5-yl)propan-1-amine?
The IUPAC name of 2-methyl-1-(2-methyl-3H-benzimidazol-5-yl)propan-1-amine (CID 82491804) is 2-methyl-1-(2-methyl-3H-benzimidazol-5-yl)propan-1-amine.
What is the SMILES notation for 2-methyl-1-(2-methyl-3H-benzimidazol-5-yl)propan-1-amine?
The canonical SMILES for 2-methyl-1-(2-methyl-3H-benzimidazol-5-yl)propan-1-amine is Cc1nc2ccc(C(N)C(C)C)cc2[nH]1.
What is the InChIKey of 2-methyl-1-(2-methyl-3H-benzimidazol-5-yl)propan-1-amine?
The InChIKey is JEJVLIMRNWEQLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N3/c1-7(2)12(13)9-4-5-10-11(6-9)15-8(3)14-10/h4-7,12H,13H2,1-3H3,(H,14,15).
What are the key properties of 2-methyl-1-(2-methyl-3H-benzimidazol-5-yl)propan-1-amine?
2-methyl-1-(2-methyl-3H-benzimidazol-5-yl)propan-1-amine has a molecular weight of 203.29 g/mol, XLogP of 2.53, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-1-(2-methyl-3H-benzimidazol-5-yl)propan-1-amine is sourced from PubChem (CID 82491804), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).