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

C19H23N3O2 — CID 937254

IUPACN-[(2,4-dimethoxyphenyl)methyl]-1-propylbenzimidazol-2-amine
SMILESCCCn1c(NCc2ccc(OC)cc2OC)nc2ccccc21
InChIInChI=1S/C19H23N3O2/c1-4-11-22-17-8-6-5-7-16(17)21-19(22)20-13-14-9-10-15(23-2)12-18(14)24-3/h5-10,12H,4,11,13H2,1-3H3,(H,20,21)
InChIKeyKRQFYKXWDDWRPV-UHFFFAOYSA-N
MW325.41 g/mol
LogP4.08
Rot. Bonds7

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

N-[(2,4-dimethoxyphenyl)methyl]-1-propylbenzimidazol-2-amine (PubChem CID 937254) has the molecular formula C19H23N3O2 and a molecular weight of 325.41 g/mol. Its IUPAC name is N-[(2,4-dimethoxyphenyl)methyl]-1-propylbenzimidazol-2-amine.

Molecular Properties

Compound NameN-[(2,4-dimethoxyphenyl)methyl]-1-propylbenzimidazol-2-amine
PubChem CID937254
Molecular FormulaC19H23N3O2
Molecular Weight325.41 g/mol
Exact Mass325.18
IUPAC NameN-[(2,4-dimethoxyphenyl)methyl]-1-propylbenzimidazol-2-amine
SMILESCCCn1c(NCc2ccc(OC)cc2OC)nc2ccccc21
InChIInChI=1S/C19H23N3O2/c1-4-11-22-17-8-6-5-7-16(17)21-19(22)20-13-14-9-10-15(23-2)12-18(14)24-3/h5-10,12H,4,11,13H2,1-3H3,(H,20,21)
InChIKeyKRQFYKXWDDWRPV-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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Related Compounds

1-[2-(diethylamino)ethyl]-N-[(2,4-dimethoxyphenyl)methyl]benzimidazol-2-amine
CID 3573876
N-[(2,5-dimethoxyphenyl)methyl]-1-methylbenzimidazol-2-amine
CID 937758
N-[(2,5-dimethoxyphenyl)methyl]-1-prop-2-enylbenzimidazol-2-amine
CID 7342830
1-butyl-N-[(2,3-dimethoxyphenyl)methyl]benzimidazol-2-amine
CID 4265206
4-methoxy-2-(1-propylbenzimidazol-2-yl)aniline
CID 115411295
N-[(2,3-dimethoxyphenyl)methyl]-1-ethylbenzimidazol-2-amine
CID 936324
N-[(5-methyl-1H-pyrazol-4-yl)methyl]-1-propylbenzimidazol-2-amine
CID 75434623
1-[2-(diethylamino)ethyl]-N-[(3-methoxyphenyl)methyl]benzimidazol-2-amine;hydrochloride
CID 6603193
N-[(3,4-dimethoxyphenyl)methyl]-1-ethylbenzimidazol-2-amine
CID 937788
2,4-dibromo-6-[[(1-butylbenzimidazol-2-yl)amino]methyl]phenol
CID 3736134
N-(2-chloroethyl)-1-propylbenzimidazol-2-amine
CID 3066877
1-[2-(4-methoxyphenoxy)ethyl]-N-methylbenzimidazol-2-amine
CID 82359465

Frequently Asked Questions

What is the IUPAC name of N-[(2,4-dimethoxyphenyl)methyl]-1-propylbenzimidazol-2-amine?
The IUPAC name of N-[(2,4-dimethoxyphenyl)methyl]-1-propylbenzimidazol-2-amine (CID 937254) is N-[(2,4-dimethoxyphenyl)methyl]-1-propylbenzimidazol-2-amine.
What is the SMILES notation for N-[(2,4-dimethoxyphenyl)methyl]-1-propylbenzimidazol-2-amine?
The canonical SMILES for N-[(2,4-dimethoxyphenyl)methyl]-1-propylbenzimidazol-2-amine is CCCn1c(NCc2ccc(OC)cc2OC)nc2ccccc21.
What is the InChIKey of N-[(2,4-dimethoxyphenyl)methyl]-1-propylbenzimidazol-2-amine?
The InChIKey is KRQFYKXWDDWRPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N3O2/c1-4-11-22-17-8-6-5-7-16(17)21-19(22)20-13-14-9-10-15(23-2)12-18(14)24-3/h5-10,12H,4,11,13H2,1-3H3,(H,20,21).
What are the key properties of N-[(2,4-dimethoxyphenyl)methyl]-1-propylbenzimidazol-2-amine?
N-[(2,4-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-[(2,4-dimethoxyphenyl)methyl]-1-propylbenzimidazol-2-amine is sourced from PubChem (CID 937254), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).