4-benzyl-1-ethylbenzimidazol-2-amine

C16H17N3 — CID 166683889

IUPAC4-benzyl-1-ethylbenzimidazol-2-amine
SMILESCCn1c(N)nc2c(Cc3ccccc3)cccc21
InChIInChI=1S/C16H17N3/c1-2-19-14-10-6-9-13(15(14)18-16(19)17)11-12-7-4-3-5-8-12/h3-10H,2,11H2,1H3,(H2,17,18)
InChIKeyQAXMEHCUICHKSS-UHFFFAOYSA-N
MW251.33 g/mol
LogP3.23
Rot. Bonds3

About 4-benzyl-1-ethylbenzimidazol-2-amine

4-benzyl-1-ethylbenzimidazol-2-amine (PubChem CID 166683889) has the molecular formula C16H17N3 and a molecular weight of 251.33 g/mol. Its IUPAC name is 4-benzyl-1-ethylbenzimidazol-2-amine.

Molecular Properties

Compound Name4-benzyl-1-ethylbenzimidazol-2-amine
PubChem CID166683889
Molecular FormulaC16H17N3
Molecular Weight251.33 g/mol
Exact Mass251.14
IUPAC Name4-benzyl-1-ethylbenzimidazol-2-amine
SMILESCCn1c(N)nc2c(Cc3ccccc3)cccc21
InChIInChI=1S/C16H17N3/c1-2-19-14-10-6-9-13(15(14)18-16(19)17)11-12-7-4-3-5-8-12/h3-10H,2,11H2,1H3,(H2,17,18)
InChIKeyQAXMEHCUICHKSS-UHFFFAOYSA-N
XLogP3.23
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.33
LogP ≤ 53.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-benzyl-1-ethylbenzimidazol-2-amine?
The IUPAC name of 4-benzyl-1-ethylbenzimidazol-2-amine (CID 166683889) is 4-benzyl-1-ethylbenzimidazol-2-amine.
What is the SMILES notation for 4-benzyl-1-ethylbenzimidazol-2-amine?
The canonical SMILES for 4-benzyl-1-ethylbenzimidazol-2-amine is CCn1c(N)nc2c(Cc3ccccc3)cccc21.
What is the InChIKey of 4-benzyl-1-ethylbenzimidazol-2-amine?
The InChIKey is QAXMEHCUICHKSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17N3/c1-2-19-14-10-6-9-13(15(14)18-16(19)17)11-12-7-4-3-5-8-12/h3-10H,2,11H2,1H3,(H2,17,18).
What are the key properties of 4-benzyl-1-ethylbenzimidazol-2-amine?
4-benzyl-1-ethylbenzimidazol-2-amine has a molecular weight of 251.33 g/mol, XLogP of 3.23, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-benzyl-1-ethylbenzimidazol-2-amine is sourced from PubChem (CID 166683889), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).