N-[(2,4-dimethoxyphenyl)methyl]-1-methylbenzimidazol-2-amine

C17H19N3O2 — CID 932019

IUPACN-[(2,4-dimethoxyphenyl)methyl]-1-methylbenzimidazol-2-amine
SMILESCOc1ccc(CNc2nc3ccccc3n2C)c(OC)c1
InChIInChI=1S/C17H19N3O2/c1-20-15-7-5-4-6-14(15)19-17(20)18-11-12-8-9-13(21-2)10-16(12)22-3/h4-10H,11H2,1-3H3,(H,18,19)
InChIKeyGMFBNRRYHPKESJ-UHFFFAOYSA-N
MW297.36 g/mol
LogP3.20
Rot. Bonds5

About N-[(2,4-dimethoxyphenyl)methyl]-1-methylbenzimidazol-2-amine

N-[(2,4-dimethoxyphenyl)methyl]-1-methylbenzimidazol-2-amine (PubChem CID 932019) has the molecular formula C17H19N3O2 and a molecular weight of 297.36 g/mol. Its IUPAC name is N-[(2,4-dimethoxyphenyl)methyl]-1-methylbenzimidazol-2-amine.

Molecular Properties

Compound NameN-[(2,4-dimethoxyphenyl)methyl]-1-methylbenzimidazol-2-amine
PubChem CID932019
Molecular FormulaC17H19N3O2
Molecular Weight297.36 g/mol
Exact Mass297.15
IUPAC NameN-[(2,4-dimethoxyphenyl)methyl]-1-methylbenzimidazol-2-amine
SMILESCOc1ccc(CNc2nc3ccccc3n2C)c(OC)c1
InChIInChI=1S/C17H19N3O2/c1-20-15-7-5-4-6-14(15)19-17(20)18-11-12-8-9-13(21-2)10-16(12)22-3/h4-10H,11H2,1-3H3,(H,18,19)
InChIKeyGMFBNRRYHPKESJ-UHFFFAOYSA-N
XLogP3.20
TPSA48.31 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.36
LogP ≤ 53.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[(2,4-dimethoxyphenyl)methyl]-1-methylbenzimidazol-2-amine?
The IUPAC name of N-[(2,4-dimethoxyphenyl)methyl]-1-methylbenzimidazol-2-amine (CID 932019) is N-[(2,4-dimethoxyphenyl)methyl]-1-methylbenzimidazol-2-amine.
What is the SMILES notation for N-[(2,4-dimethoxyphenyl)methyl]-1-methylbenzimidazol-2-amine?
The canonical SMILES for N-[(2,4-dimethoxyphenyl)methyl]-1-methylbenzimidazol-2-amine is COc1ccc(CNc2nc3ccccc3n2C)c(OC)c1.
What is the InChIKey of N-[(2,4-dimethoxyphenyl)methyl]-1-methylbenzimidazol-2-amine?
The InChIKey is GMFBNRRYHPKESJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N3O2/c1-20-15-7-5-4-6-14(15)19-17(20)18-11-12-8-9-13(21-2)10-16(12)22-3/h4-10H,11H2,1-3H3,(H,18,19).
What are the key properties of N-[(2,4-dimethoxyphenyl)methyl]-1-methylbenzimidazol-2-amine?
N-[(2,4-dimethoxyphenyl)methyl]-1-methylbenzimidazol-2-amine has a molecular weight of 297.36 g/mol, XLogP of 3.20, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2,4-dimethoxyphenyl)methyl]-1-methylbenzimidazol-2-amine is sourced from PubChem (CID 932019), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).