6-methoxy-1-propan-2-yl-2,3-dihydrobenzimidazol-4-amine

C11H17N3O — CID 52949631

IUPAC6-methoxy-1-propan-2-yl-2,3-dihydrobenzimidazol-4-amine
SMILESCOc1cc(N)c2c(c1)N(C(C)C)CN2
InChIInChI=1S/C11H17N3O/c1-7(2)14-6-13-11-9(12)4-8(15-3)5-10(11)14/h4-5,7,13H,6,12H2,1-3H3
InChIKeyCETBRPPQTQCSHM-UHFFFAOYSA-N
MW207.28 g/mol
LogP1.88
Rot. Bonds2

About 6-methoxy-1-propan-2-yl-2,3-dihydrobenzimidazol-4-amine

6-methoxy-1-propan-2-yl-2,3-dihydrobenzimidazol-4-amine (PubChem CID 52949631) has the molecular formula C11H17N3O and a molecular weight of 207.28 g/mol. Its IUPAC name is 6-methoxy-1-propan-2-yl-2,3-dihydrobenzimidazol-4-amine.

Molecular Properties

Compound Name6-methoxy-1-propan-2-yl-2,3-dihydrobenzimidazol-4-amine
PubChem CID52949631
Molecular FormulaC11H17N3O
Molecular Weight207.28 g/mol
Exact Mass207.14
IUPAC Name6-methoxy-1-propan-2-yl-2,3-dihydrobenzimidazol-4-amine
SMILESCOc1cc(N)c2c(c1)N(C(C)C)CN2
InChIInChI=1S/C11H17N3O/c1-7(2)14-6-13-11-9(12)4-8(15-3)5-10(11)14/h4-5,7,13H,6,12H2,1-3H3
InChIKeyCETBRPPQTQCSHM-UHFFFAOYSA-N
XLogP1.88
TPSA50.52 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.28
LogP ≤ 51.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_C(246)', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 6-methoxy-1-propan-2-yl-2,3-dihydrobenzimidazol-4-amine?
The IUPAC name of 6-methoxy-1-propan-2-yl-2,3-dihydrobenzimidazol-4-amine (CID 52949631) is 6-methoxy-1-propan-2-yl-2,3-dihydrobenzimidazol-4-amine.
What is the SMILES notation for 6-methoxy-1-propan-2-yl-2,3-dihydrobenzimidazol-4-amine?
The canonical SMILES for 6-methoxy-1-propan-2-yl-2,3-dihydrobenzimidazol-4-amine is COc1cc(N)c2c(c1)N(C(C)C)CN2.
What is the InChIKey of 6-methoxy-1-propan-2-yl-2,3-dihydrobenzimidazol-4-amine?
The InChIKey is CETBRPPQTQCSHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N3O/c1-7(2)14-6-13-11-9(12)4-8(15-3)5-10(11)14/h4-5,7,13H,6,12H2,1-3H3.
What are the key properties of 6-methoxy-1-propan-2-yl-2,3-dihydrobenzimidazol-4-amine?
6-methoxy-1-propan-2-yl-2,3-dihydrobenzimidazol-4-amine has a molecular weight of 207.28 g/mol, XLogP of 1.88, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methoxy-1-propan-2-yl-2,3-dihydrobenzimidazol-4-amine is sourced from PubChem (CID 52949631), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).