1-ethyl-2-[(1-ethylbenzimidazol-2-yl)methyl]benzimidazole

C19H20N4 — CID 825571

IUPAC1-ethyl-2-[(1-ethylbenzimidazol-2-yl)methyl]benzimidazole
SMILESCCn1c(Cc2nc3ccccc3n2CC)nc2ccccc21
InChIInChI=1S/C19H20N4/c1-3-22-16-11-7-5-9-14(16)20-18(22)13-19-21-15-10-6-8-12-17(15)23(19)4-2/h5-12H,3-4,13H2,1-2H3
InChIKeyHXAZBSDTBQIPMS-UHFFFAOYSA-N
MW304.40 g/mol
LogP4.02
Rot. Bonds4

About 1-ethyl-2-[(1-ethylbenzimidazol-2-yl)methyl]benzimidazole

1-ethyl-2-[(1-ethylbenzimidazol-2-yl)methyl]benzimidazole (PubChem CID 825571) has the molecular formula C19H20N4 and a molecular weight of 304.40 g/mol. Its IUPAC name is 1-ethyl-2-[(1-ethylbenzimidazol-2-yl)methyl]benzimidazole.

Molecular Properties

Compound Name1-ethyl-2-[(1-ethylbenzimidazol-2-yl)methyl]benzimidazole
PubChem CID825571
Molecular FormulaC19H20N4
Molecular Weight304.40 g/mol
Exact Mass304.17
IUPAC Name1-ethyl-2-[(1-ethylbenzimidazol-2-yl)methyl]benzimidazole
SMILESCCn1c(Cc2nc3ccccc3n2CC)nc2ccccc21
InChIInChI=1S/C19H20N4/c1-3-22-16-11-7-5-9-14(16)20-18(22)13-19-21-15-10-6-8-12-17(15)23(19)4-2/h5-12H,3-4,13H2,1-2H3
InChIKeyHXAZBSDTBQIPMS-UHFFFAOYSA-N
XLogP4.02
TPSA35.64 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.40
LogP ≤ 54.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-ethyl-2-[(1-ethylbenzimidazol-2-yl)methyl]benzimidazole?
The IUPAC name of 1-ethyl-2-[(1-ethylbenzimidazol-2-yl)methyl]benzimidazole (CID 825571) is 1-ethyl-2-[(1-ethylbenzimidazol-2-yl)methyl]benzimidazole.
What is the SMILES notation for 1-ethyl-2-[(1-ethylbenzimidazol-2-yl)methyl]benzimidazole?
The canonical SMILES for 1-ethyl-2-[(1-ethylbenzimidazol-2-yl)methyl]benzimidazole is CCn1c(Cc2nc3ccccc3n2CC)nc2ccccc21.
What is the InChIKey of 1-ethyl-2-[(1-ethylbenzimidazol-2-yl)methyl]benzimidazole?
The InChIKey is HXAZBSDTBQIPMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N4/c1-3-22-16-11-7-5-9-14(16)20-18(22)13-19-21-15-10-6-8-12-17(15)23(19)4-2/h5-12H,3-4,13H2,1-2H3.
What are the key properties of 1-ethyl-2-[(1-ethylbenzimidazol-2-yl)methyl]benzimidazole?
1-ethyl-2-[(1-ethylbenzimidazol-2-yl)methyl]benzimidazole has a molecular weight of 304.40 g/mol, XLogP of 4.02, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-2-[(1-ethylbenzimidazol-2-yl)methyl]benzimidazole is sourced from PubChem (CID 825571), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).