1-(3-methoxypropyl)-7-methylbenzimidazol-2-amine

C12H17N3O — CID 115552278

IUPAC1-(3-methoxypropyl)-7-methylbenzimidazol-2-amine
SMILESCOCCCn1c(N)nc2cccc(C)c21
InChIInChI=1S/C12H17N3O/c1-9-5-3-6-10-11(9)15(12(13)14-10)7-4-8-16-2/h3,5-6H,4,7-8H2,1-2H3,(H2,13,14)
InChIKeySYWLKZFEUXLKFR-UHFFFAOYSA-N
MW219.29 g/mol
LogP1.96
Rot. Bonds4

About 1-(3-methoxypropyl)-7-methylbenzimidazol-2-amine

1-(3-methoxypropyl)-7-methylbenzimidazol-2-amine (PubChem CID 115552278) has the molecular formula C12H17N3O and a molecular weight of 219.29 g/mol. Its IUPAC name is 1-(3-methoxypropyl)-7-methylbenzimidazol-2-amine.

Molecular Properties

Compound Name1-(3-methoxypropyl)-7-methylbenzimidazol-2-amine
PubChem CID115552278
Molecular FormulaC12H17N3O
Molecular Weight219.29 g/mol
Exact Mass219.14
IUPAC Name1-(3-methoxypropyl)-7-methylbenzimidazol-2-amine
SMILESCOCCCn1c(N)nc2cccc(C)c21
InChIInChI=1S/C12H17N3O/c1-9-5-3-6-10-11(9)15(12(13)14-10)7-4-8-16-2/h3,5-6H,4,7-8H2,1-2H3,(H2,13,14)
InChIKeySYWLKZFEUXLKFR-UHFFFAOYSA-N
XLogP1.96
TPSA53.07 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.29
LogP ≤ 51.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 1-(3-methoxypropyl)-7-methylbenzimidazol-2-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

7-methyl-1-(3-methylsulfonylpropyl)benzimidazol-2-amine
CID 115552409
2-(2-amino-7-methylbenzimidazol-1-yl)ethyl carbamate
CID 83204061
1-[2-(dimethylamino)ethyl]-7-methylbenzimidazol-2-amine
CID 115552143
1-(3-cyclopentylpropyl)-7-methylbenzimidazol-2-amine
CID 106008021
7-methyl-1-(2-methylsulfonylethyl)benzimidazol-2-amine
CID 115552322
1-[2-(3,5-difluorophenyl)ethyl]-7-methylbenzimidazol-2-amine
CID 115552468
6-bromo-1-(3-methoxypropyl)benzimidazol-2-amine
CID 65347072
1,7-dimethylbenzimidazol-2-amine;ethane
CID 170767427
1-[(4-bromophenyl)methyl]-7-methylbenzimidazol-2-amine
CID 115552239
7-methyl-1-[(3-methylthiophen-2-yl)methyl]benzimidazol-2-amine
CID 115552599
7-methyl-1-[(4-propan-2-ylphenyl)methyl]benzimidazol-2-amine
CID 115552424
2-(2-chloroethyl)-1-(3-ethoxypropyl)-7-methylbenzimidazole
CID 115552740

Frequently Asked Questions

What is the IUPAC name of 1-(3-methoxypropyl)-7-methylbenzimidazol-2-amine?
The IUPAC name of 1-(3-methoxypropyl)-7-methylbenzimidazol-2-amine (CID 115552278) is 1-(3-methoxypropyl)-7-methylbenzimidazol-2-amine.
What is the SMILES notation for 1-(3-methoxypropyl)-7-methylbenzimidazol-2-amine?
The canonical SMILES for 1-(3-methoxypropyl)-7-methylbenzimidazol-2-amine is COCCCn1c(N)nc2cccc(C)c21.
What is the InChIKey of 1-(3-methoxypropyl)-7-methylbenzimidazol-2-amine?
The InChIKey is SYWLKZFEUXLKFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N3O/c1-9-5-3-6-10-11(9)15(12(13)14-10)7-4-8-16-2/h3,5-6H,4,7-8H2,1-2H3,(H2,13,14).
What are the key properties of 1-(3-methoxypropyl)-7-methylbenzimidazol-2-amine?
1-(3-methoxypropyl)-7-methylbenzimidazol-2-amine has a molecular weight of 219.29 g/mol, XLogP of 1.96, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-methoxypropyl)-7-methylbenzimidazol-2-amine is sourced from PubChem (CID 115552278), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).