7-methoxy-5-methyl-1-propylbenzimidazol-2-amine

C12H17N3O — CID 146319405

IUPAC7-methoxy-5-methyl-1-propylbenzimidazol-2-amine
SMILESCCCn1c(N)nc2cc(C)cc(OC)c21
InChIInChI=1S/C12H17N3O/c1-4-5-15-11-9(14-12(15)13)6-8(2)7-10(11)16-3/h6-7H,4-5H2,1-3H3,(H2,13,14)
InChIKeyMWBXVXQQJNSMCR-UHFFFAOYSA-N
MW219.29 g/mol
LogP2.35
Rot. Bonds3

About 7-methoxy-5-methyl-1-propylbenzimidazol-2-amine

7-methoxy-5-methyl-1-propylbenzimidazol-2-amine (PubChem CID 146319405) has the molecular formula C12H17N3O and a molecular weight of 219.29 g/mol. Its IUPAC name is 7-methoxy-5-methyl-1-propylbenzimidazol-2-amine.

Molecular Properties

Compound Name7-methoxy-5-methyl-1-propylbenzimidazol-2-amine
PubChem CID146319405
Molecular FormulaC12H17N3O
Molecular Weight219.29 g/mol
Exact Mass219.14
IUPAC Name7-methoxy-5-methyl-1-propylbenzimidazol-2-amine
SMILESCCCn1c(N)nc2cc(C)cc(OC)c21
InChIInChI=1S/C12H17N3O/c1-4-5-15-11-9(14-12(15)13)6-8(2)7-10(11)16-3/h6-7H,4-5H2,1-3H3,(H2,13,14)
InChIKeyMWBXVXQQJNSMCR-UHFFFAOYSA-N
XLogP2.35
TPSA53.07 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.29
LogP ≤ 52.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 7-methoxy-5-methyl-1-propylbenzimidazol-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

Frequently Asked Questions

What is the IUPAC name of 7-methoxy-5-methyl-1-propylbenzimidazol-2-amine?
The IUPAC name of 7-methoxy-5-methyl-1-propylbenzimidazol-2-amine (CID 146319405) is 7-methoxy-5-methyl-1-propylbenzimidazol-2-amine.
What is the SMILES notation for 7-methoxy-5-methyl-1-propylbenzimidazol-2-amine?
The canonical SMILES for 7-methoxy-5-methyl-1-propylbenzimidazol-2-amine is CCCn1c(N)nc2cc(C)cc(OC)c21.
What is the InChIKey of 7-methoxy-5-methyl-1-propylbenzimidazol-2-amine?
The InChIKey is MWBXVXQQJNSMCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N3O/c1-4-5-15-11-9(14-12(15)13)6-8(2)7-10(11)16-3/h6-7H,4-5H2,1-3H3,(H2,13,14).
What are the key properties of 7-methoxy-5-methyl-1-propylbenzimidazol-2-amine?
7-methoxy-5-methyl-1-propylbenzimidazol-2-amine has a molecular weight of 219.29 g/mol, XLogP of 2.35, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-methoxy-5-methyl-1-propylbenzimidazol-2-amine is sourced from PubChem (CID 146319405), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).