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

C18H21N3O2 — CID 936324

IUPACN-[(2,3-dimethoxyphenyl)methyl]-1-ethylbenzimidazol-2-amine
SMILESCCn1c(NCc2cccc(OC)c2OC)nc2ccccc21
InChIInChI=1S/C18H21N3O2/c1-4-21-15-10-6-5-9-14(15)20-18(21)19-12-13-8-7-11-16(22-2)17(13)23-3/h5-11H,4,12H2,1-3H3,(H,19,20)
InChIKeyUCMHUQUJUXGLNO-UHFFFAOYSA-N
MW311.39 g/mol
LogP3.69
Rot. Bonds6

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

N-[(2,3-dimethoxyphenyl)methyl]-1-ethylbenzimidazol-2-amine (PubChem CID 936324) has the molecular formula C18H21N3O2 and a molecular weight of 311.39 g/mol. Its IUPAC name is N-[(2,3-dimethoxyphenyl)methyl]-1-ethylbenzimidazol-2-amine.

Molecular Properties

Compound NameN-[(2,3-dimethoxyphenyl)methyl]-1-ethylbenzimidazol-2-amine
PubChem CID936324
Molecular FormulaC18H21N3O2
Molecular Weight311.39 g/mol
Exact Mass311.16
IUPAC NameN-[(2,3-dimethoxyphenyl)methyl]-1-ethylbenzimidazol-2-amine
SMILESCCn1c(NCc2cccc(OC)c2OC)nc2ccccc21
InChIInChI=1S/C18H21N3O2/c1-4-21-15-10-6-5-9-14(15)20-18(21)19-12-13-8-7-11-16(22-2)17(13)23-3/h5-11H,4,12H2,1-3H3,(H,19,20)
InChIKeyUCMHUQUJUXGLNO-UHFFFAOYSA-N
XLogP3.69
TPSA48.31 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.39
LogP ≤ 53.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-butyl-N-[(2,3-dimethoxyphenyl)methyl]benzimidazol-2-amine
CID 4265206
N-[(3,4-dimethoxyphenyl)methyl]-1-ethylbenzimidazol-2-amine
CID 937788
1-ethyl-N-(1H-indol-3-ylmethyl)benzimidazol-2-amine
CID 647353
N-[(4,8-dimethoxynaphthalen-1-yl)methyl]-1-methylbenzimidazol-2-amine
CID 5146346
N-[(2,4-dimethoxyphenyl)methyl]-1-propylbenzimidazol-2-amine
CID 937254
N-[(4-chlorophenyl)methyl]-1-ethylbenzimidazol-2-amine
CID 7013067
N-(1-ethylbenzimidazol-2-yl)-3,4,5-trimethoxybenzamide
CID 17417130
4-bromo-2-[[(1-ethylbenzimidazol-2-yl)amino]methyl]phenol
CID 787412
2-[(1-ethylbenzimidazol-2-yl)methyl]-6-methoxyphenol
CID 83128665
N-[(1-ethylbenzimidazol-2-yl)methyl]-2-(2,3,4-trimethoxyphenyl)acetamide
CID 18093027
1-[(2,3-dimethoxyphenyl)methylamino]-3-methylpyrido[1,2-a]benzimidazole-4-carbonitrile
CID 60506344
1-[2-(diethylamino)ethyl]-N-[(2,4-dimethoxyphenyl)methyl]benzimidazol-2-amine
CID 3573876

Frequently Asked Questions

What is the IUPAC name of N-[(2,3-dimethoxyphenyl)methyl]-1-ethylbenzimidazol-2-amine?
The IUPAC name of N-[(2,3-dimethoxyphenyl)methyl]-1-ethylbenzimidazol-2-amine (CID 936324) is N-[(2,3-dimethoxyphenyl)methyl]-1-ethylbenzimidazol-2-amine.
What is the SMILES notation for N-[(2,3-dimethoxyphenyl)methyl]-1-ethylbenzimidazol-2-amine?
The canonical SMILES for N-[(2,3-dimethoxyphenyl)methyl]-1-ethylbenzimidazol-2-amine is CCn1c(NCc2cccc(OC)c2OC)nc2ccccc21.
What is the InChIKey of N-[(2,3-dimethoxyphenyl)methyl]-1-ethylbenzimidazol-2-amine?
The InChIKey is UCMHUQUJUXGLNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N3O2/c1-4-21-15-10-6-5-9-14(15)20-18(21)19-12-13-8-7-11-16(22-2)17(13)23-3/h5-11H,4,12H2,1-3H3,(H,19,20).
What are the key properties of N-[(2,3-dimethoxyphenyl)methyl]-1-ethylbenzimidazol-2-amine?
N-[(2,3-dimethoxyphenyl)methyl]-1-ethylbenzimidazol-2-amine has a molecular weight of 311.39 g/mol, XLogP of 3.69, 6 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-ethylbenzimidazol-2-amine is sourced from PubChem (CID 936324), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).