N-[(2,5-dimethoxyphenyl)methyl]-1-ethylbenzimidazol-2-amine

C18H21N3O2 — CID 645176

IUPACN-[(2,5-dimethoxyphenyl)methyl]-1-ethylbenzimidazol-2-amine
SMILESCCn1c(NCc2cc(OC)ccc2OC)nc2ccccc21
InChIInChI=1S/C18H21N3O2/c1-4-21-16-8-6-5-7-15(16)20-18(21)19-12-13-11-14(22-2)9-10-17(13)23-3/h5-11H,4,12H2,1-3H3,(H,19,20)
InChIKeyBDFDSTNVUXGFHJ-UHFFFAOYSA-N
MW311.39 g/mol
LogP3.69
Rot. Bonds6

About N-[(2,5-dimethoxyphenyl)methyl]-1-ethylbenzimidazol-2-amine

N-[(2,5-dimethoxyphenyl)methyl]-1-ethylbenzimidazol-2-amine (PubChem CID 645176) has the molecular formula C18H21N3O2 and a molecular weight of 311.39 g/mol. Its IUPAC name is N-[(2,5-dimethoxyphenyl)methyl]-1-ethylbenzimidazol-2-amine.

Molecular Properties

Compound NameN-[(2,5-dimethoxyphenyl)methyl]-1-ethylbenzimidazol-2-amine
PubChem CID645176
Molecular FormulaC18H21N3O2
Molecular Weight311.39 g/mol
Exact Mass311.16
IUPAC NameN-[(2,5-dimethoxyphenyl)methyl]-1-ethylbenzimidazol-2-amine
SMILESCCn1c(NCc2cc(OC)ccc2OC)nc2ccccc21
InChIInChI=1S/C18H21N3O2/c1-4-21-16-8-6-5-7-15(16)20-18(21)19-12-13-11-14(22-2)9-10-17(13)23-3/h5-11H,4,12H2,1-3H3,(H,19,20)
InChIKeyBDFDSTNVUXGFHJ-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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Frequently Asked Questions

What is the IUPAC name of N-[(2,5-dimethoxyphenyl)methyl]-1-ethylbenzimidazol-2-amine?
The IUPAC name of N-[(2,5-dimethoxyphenyl)methyl]-1-ethylbenzimidazol-2-amine (CID 645176) is N-[(2,5-dimethoxyphenyl)methyl]-1-ethylbenzimidazol-2-amine.
What is the SMILES notation for N-[(2,5-dimethoxyphenyl)methyl]-1-ethylbenzimidazol-2-amine?
The canonical SMILES for N-[(2,5-dimethoxyphenyl)methyl]-1-ethylbenzimidazol-2-amine is CCn1c(NCc2cc(OC)ccc2OC)nc2ccccc21.
What is the InChIKey of N-[(2,5-dimethoxyphenyl)methyl]-1-ethylbenzimidazol-2-amine?
The InChIKey is BDFDSTNVUXGFHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N3O2/c1-4-21-16-8-6-5-7-15(16)20-18(21)19-12-13-11-14(22-2)9-10-17(13)23-3/h5-11H,4,12H2,1-3H3,(H,19,20).
What are the key properties of N-[(2,5-dimethoxyphenyl)methyl]-1-ethylbenzimidazol-2-amine?
N-[(2,5-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-[(2,5-dimethoxyphenyl)methyl]-1-ethylbenzimidazol-2-amine is sourced from PubChem (CID 645176), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).