5-(1-ethylbenzimidazol-2-yl)-2H-imidazol-4-amine

C12H13N5 — CID 142273017

IUPAC5-(1-ethylbenzimidazol-2-yl)-2H-imidazol-4-amine
SMILESCCn1c(C2=NCN=C2N)nc2ccccc21
InChIInChI=1S/C12H13N5/c1-2-17-9-6-4-3-5-8(9)16-12(17)10-11(13)15-7-14-10/h3-6H,2,7H2,1H3,(H2,13,15)
InChIKeyDENRODRVJKZZDT-UHFFFAOYSA-N
MW227.27 g/mol
LogP1.17
Rot. Bonds2

About 5-(1-ethylbenzimidazol-2-yl)-2H-imidazol-4-amine

5-(1-ethylbenzimidazol-2-yl)-2H-imidazol-4-amine (PubChem CID 142273017) has the molecular formula C12H13N5 and a molecular weight of 227.27 g/mol. Its IUPAC name is 5-(1-ethylbenzimidazol-2-yl)-2H-imidazol-4-amine.

Molecular Properties

Compound Name5-(1-ethylbenzimidazol-2-yl)-2H-imidazol-4-amine
PubChem CID142273017
Molecular FormulaC12H13N5
Molecular Weight227.27 g/mol
Exact Mass227.12
IUPAC Name5-(1-ethylbenzimidazol-2-yl)-2H-imidazol-4-amine
SMILESCCn1c(C2=NCN=C2N)nc2ccccc21
InChIInChI=1S/C12H13N5/c1-2-17-9-6-4-3-5-8(9)16-12(17)10-11(13)15-7-14-10/h3-6H,2,7H2,1H3,(H2,13,15)
InChIKeyDENRODRVJKZZDT-UHFFFAOYSA-N
XLogP1.17
TPSA68.56 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.27
LogP ≤ 51.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

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1-ethyl-2-[4-[10-(4-phenylphenyl)anthracen-9-yl]phenyl]benzimidazole
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Frequently Asked Questions

What is the IUPAC name of 5-(1-ethylbenzimidazol-2-yl)-2H-imidazol-4-amine?
The IUPAC name of 5-(1-ethylbenzimidazol-2-yl)-2H-imidazol-4-amine (CID 142273017) is 5-(1-ethylbenzimidazol-2-yl)-2H-imidazol-4-amine.
What is the SMILES notation for 5-(1-ethylbenzimidazol-2-yl)-2H-imidazol-4-amine?
The canonical SMILES for 5-(1-ethylbenzimidazol-2-yl)-2H-imidazol-4-amine is CCn1c(C2=NCN=C2N)nc2ccccc21.
What is the InChIKey of 5-(1-ethylbenzimidazol-2-yl)-2H-imidazol-4-amine?
The InChIKey is DENRODRVJKZZDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13N5/c1-2-17-9-6-4-3-5-8(9)16-12(17)10-11(13)15-7-14-10/h3-6H,2,7H2,1H3,(H2,13,15).
What are the key properties of 5-(1-ethylbenzimidazol-2-yl)-2H-imidazol-4-amine?
5-(1-ethylbenzimidazol-2-yl)-2H-imidazol-4-amine has a molecular weight of 227.27 g/mol, XLogP of 1.17, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(1-ethylbenzimidazol-2-yl)-2H-imidazol-4-amine is sourced from PubChem (CID 142273017), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).