6-ethoxy-N-(4-methoxyphenyl)-1H-benzimidazol-2-amine

C16H17N3O2 — CID 50878343

IUPAC6-ethoxy-N-(4-methoxyphenyl)-1H-benzimidazol-2-amine
SMILESCCOc1ccc2nc(Nc3ccc(OC)cc3)[nH]c2c1
InChIInChI=1S/C16H17N3O2/c1-3-21-13-8-9-14-15(10-13)19-16(18-14)17-11-4-6-12(20-2)7-5-11/h4-10H,3H2,1-2H3,(H2,17,18,19)
InChIKeyVKZPMDNNSSWQPW-UHFFFAOYSA-N
MW283.33 g/mol
LogP3.71
Rot. Bonds5

About 6-ethoxy-N-(4-methoxyphenyl)-1H-benzimidazol-2-amine

6-ethoxy-N-(4-methoxyphenyl)-1H-benzimidazol-2-amine (PubChem CID 50878343) has the molecular formula C16H17N3O2 and a molecular weight of 283.33 g/mol. Its IUPAC name is 6-ethoxy-N-(4-methoxyphenyl)-1H-benzimidazol-2-amine.

Molecular Properties

Compound Name6-ethoxy-N-(4-methoxyphenyl)-1H-benzimidazol-2-amine
PubChem CID50878343
Molecular FormulaC16H17N3O2
Molecular Weight283.33 g/mol
Exact Mass283.13
IUPAC Name6-ethoxy-N-(4-methoxyphenyl)-1H-benzimidazol-2-amine
SMILESCCOc1ccc2nc(Nc3ccc(OC)cc3)[nH]c2c1
InChIInChI=1S/C16H17N3O2/c1-3-21-13-8-9-14-15(10-13)19-16(18-14)17-11-4-6-12(20-2)7-5-11/h4-10H,3H2,1-2H3,(H2,17,18,19)
InChIKeyVKZPMDNNSSWQPW-UHFFFAOYSA-N
XLogP3.71
TPSA59.17 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.33
LogP ≤ 53.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-ethoxy-N-(4-methoxyphenyl)-1H-benzimidazol-2-amine?
The IUPAC name of 6-ethoxy-N-(4-methoxyphenyl)-1H-benzimidazol-2-amine (CID 50878343) is 6-ethoxy-N-(4-methoxyphenyl)-1H-benzimidazol-2-amine.
What is the SMILES notation for 6-ethoxy-N-(4-methoxyphenyl)-1H-benzimidazol-2-amine?
The canonical SMILES for 6-ethoxy-N-(4-methoxyphenyl)-1H-benzimidazol-2-amine is CCOc1ccc2nc(Nc3ccc(OC)cc3)[nH]c2c1.
What is the InChIKey of 6-ethoxy-N-(4-methoxyphenyl)-1H-benzimidazol-2-amine?
The InChIKey is VKZPMDNNSSWQPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17N3O2/c1-3-21-13-8-9-14-15(10-13)19-16(18-14)17-11-4-6-12(20-2)7-5-11/h4-10H,3H2,1-2H3,(H2,17,18,19).
What are the key properties of 6-ethoxy-N-(4-methoxyphenyl)-1H-benzimidazol-2-amine?
6-ethoxy-N-(4-methoxyphenyl)-1H-benzimidazol-2-amine has a molecular weight of 283.33 g/mol, XLogP of 3.71, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-ethoxy-N-(4-methoxyphenyl)-1H-benzimidazol-2-amine is sourced from PubChem (CID 50878343), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).