N-[(2,3-dimethoxyphenyl)methyl]-1-propylbenzimidazol-2-amine

C19H23N3O2 — CID 647272

IUPACN-[(2,3-dimethoxyphenyl)methyl]-1-propylbenzimidazol-2-amine
SMILESCCCn1c(NCc2cccc(OC)c2OC)nc2ccccc21
InChIInChI=1S/C19H23N3O2/c1-4-12-22-16-10-6-5-9-15(16)21-19(22)20-13-14-8-7-11-17(23-2)18(14)24-3/h5-11H,4,12-13H2,1-3H3,(H,20,21)
InChIKeyVWXJJHHWVHTADZ-UHFFFAOYSA-N
MW325.41 g/mol
LogP4.08
Rot. Bonds7

About N-[(2,3-dimethoxyphenyl)methyl]-1-propylbenzimidazol-2-amine

N-[(2,3-dimethoxyphenyl)methyl]-1-propylbenzimidazol-2-amine (PubChem CID 647272) has the molecular formula C19H23N3O2 and a molecular weight of 325.41 g/mol. Its IUPAC name is N-[(2,3-dimethoxyphenyl)methyl]-1-propylbenzimidazol-2-amine.

Molecular Properties

Compound NameN-[(2,3-dimethoxyphenyl)methyl]-1-propylbenzimidazol-2-amine
PubChem CID647272
Molecular FormulaC19H23N3O2
Molecular Weight325.41 g/mol
Exact Mass325.18
IUPAC NameN-[(2,3-dimethoxyphenyl)methyl]-1-propylbenzimidazol-2-amine
SMILESCCCn1c(NCc2cccc(OC)c2OC)nc2ccccc21
InChIInChI=1S/C19H23N3O2/c1-4-12-22-16-10-6-5-9-15(16)21-19(22)20-13-14-8-7-11-17(23-2)18(14)24-3/h5-11H,4,12-13H2,1-3H3,(H,20,21)
InChIKeyVWXJJHHWVHTADZ-UHFFFAOYSA-N
XLogP4.08
TPSA48.31 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.41
LogP ≤ 54.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[(2,3-dimethoxyphenyl)methyl]-1-propylbenzimidazol-2-amine?
The IUPAC name of N-[(2,3-dimethoxyphenyl)methyl]-1-propylbenzimidazol-2-amine (CID 647272) is N-[(2,3-dimethoxyphenyl)methyl]-1-propylbenzimidazol-2-amine.
What is the SMILES notation for N-[(2,3-dimethoxyphenyl)methyl]-1-propylbenzimidazol-2-amine?
The canonical SMILES for N-[(2,3-dimethoxyphenyl)methyl]-1-propylbenzimidazol-2-amine is CCCn1c(NCc2cccc(OC)c2OC)nc2ccccc21.
What is the InChIKey of N-[(2,3-dimethoxyphenyl)methyl]-1-propylbenzimidazol-2-amine?
The InChIKey is VWXJJHHWVHTADZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N3O2/c1-4-12-22-16-10-6-5-9-15(16)21-19(22)20-13-14-8-7-11-17(23-2)18(14)24-3/h5-11H,4,12-13H2,1-3H3,(H,20,21).
What are the key properties of N-[(2,3-dimethoxyphenyl)methyl]-1-propylbenzimidazol-2-amine?
N-[(2,3-dimethoxyphenyl)methyl]-1-propylbenzimidazol-2-amine has a molecular weight of 325.41 g/mol, XLogP of 4.08, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2,3-dimethoxyphenyl)methyl]-1-propylbenzimidazol-2-amine is sourced from PubChem (CID 647272), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).