1-benzyl-5-methoxybenzimidazol-2-amine

C15H15N3O — CID 661586

IUPAC1-benzyl-5-methoxybenzimidazol-2-amine
SMILESCOc1ccc2c(c1)nc(N)n2Cc1ccccc1
InChIInChI=1S/C15H15N3O/c1-19-12-7-8-14-13(9-12)17-15(16)18(14)10-11-5-3-2-4-6-11/h2-9H,10H2,1H3,(H2,16,17)
InChIKeyWYNXIKPFBBSWFR-UHFFFAOYSA-N
MW253.31 g/mol
LogP2.68
Rot. Bonds3

About 1-benzyl-5-methoxybenzimidazol-2-amine

1-benzyl-5-methoxybenzimidazol-2-amine (PubChem CID 661586) has the molecular formula C15H15N3O and a molecular weight of 253.31 g/mol. Its IUPAC name is 1-benzyl-5-methoxybenzimidazol-2-amine.

Molecular Properties

Compound Name1-benzyl-5-methoxybenzimidazol-2-amine
PubChem CID661586
Molecular FormulaC15H15N3O
Molecular Weight253.31 g/mol
Exact Mass253.12
IUPAC Name1-benzyl-5-methoxybenzimidazol-2-amine
SMILESCOc1ccc2c(c1)nc(N)n2Cc1ccccc1
InChIInChI=1S/C15H15N3O/c1-19-12-7-8-14-13(9-12)17-15(16)18(14)10-11-5-3-2-4-6-11/h2-9H,10H2,1H3,(H2,16,17)
InChIKeyWYNXIKPFBBSWFR-UHFFFAOYSA-N
XLogP2.68
TPSA53.07 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.31
LogP ≤ 52.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-benzyl-5-methoxybenzimidazol-2-amine?
The IUPAC name of 1-benzyl-5-methoxybenzimidazol-2-amine (CID 661586) is 1-benzyl-5-methoxybenzimidazol-2-amine.
What is the SMILES notation for 1-benzyl-5-methoxybenzimidazol-2-amine?
The canonical SMILES for 1-benzyl-5-methoxybenzimidazol-2-amine is COc1ccc2c(c1)nc(N)n2Cc1ccccc1.
What is the InChIKey of 1-benzyl-5-methoxybenzimidazol-2-amine?
The InChIKey is WYNXIKPFBBSWFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15N3O/c1-19-12-7-8-14-13(9-12)17-15(16)18(14)10-11-5-3-2-4-6-11/h2-9H,10H2,1H3,(H2,16,17).
What are the key properties of 1-benzyl-5-methoxybenzimidazol-2-amine?
1-benzyl-5-methoxybenzimidazol-2-amine has a molecular weight of 253.31 g/mol, XLogP of 2.68, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-5-methoxybenzimidazol-2-amine is sourced from PubChem (CID 661586), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).