1-ethyl-2-methyl-5-phenylbenzimidazole

C16H16N2 — CID 746920

IUPAC1-ethyl-2-methyl-5-phenylbenzimidazole
SMILESCCn1c(C)nc2cc(-c3ccccc3)ccc21
InChIInChI=1S/C16H16N2/c1-3-18-12(2)17-15-11-14(9-10-16(15)18)13-7-5-4-6-8-13/h4-11H,3H2,1-2H3
InChIKeyUPSPQMOBHWEMRG-UHFFFAOYSA-N
MW236.32 g/mol
LogP4.03
Rot. Bonds2

About 1-ethyl-2-methyl-5-phenylbenzimidazole

1-ethyl-2-methyl-5-phenylbenzimidazole (PubChem CID 746920) has the molecular formula C16H16N2 and a molecular weight of 236.32 g/mol. Its IUPAC name is 1-ethyl-2-methyl-5-phenylbenzimidazole.

Molecular Properties

Compound Name1-ethyl-2-methyl-5-phenylbenzimidazole
PubChem CID746920
Molecular FormulaC16H16N2
Molecular Weight236.32 g/mol
Exact Mass236.13
IUPAC Name1-ethyl-2-methyl-5-phenylbenzimidazole
SMILESCCn1c(C)nc2cc(-c3ccccc3)ccc21
InChIInChI=1S/C16H16N2/c1-3-18-12(2)17-15-11-14(9-10-16(15)18)13-7-5-4-6-8-13/h4-11H,3H2,1-2H3
InChIKeyUPSPQMOBHWEMRG-UHFFFAOYSA-N
XLogP4.03
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.32
LogP ≤ 54.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-ethyl-2-methyl-5-phenylbenzimidazole?
The IUPAC name of 1-ethyl-2-methyl-5-phenylbenzimidazole (CID 746920) is 1-ethyl-2-methyl-5-phenylbenzimidazole.
What is the SMILES notation for 1-ethyl-2-methyl-5-phenylbenzimidazole?
The canonical SMILES for 1-ethyl-2-methyl-5-phenylbenzimidazole is CCn1c(C)nc2cc(-c3ccccc3)ccc21.
What is the InChIKey of 1-ethyl-2-methyl-5-phenylbenzimidazole?
The InChIKey is UPSPQMOBHWEMRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N2/c1-3-18-12(2)17-15-11-14(9-10-16(15)18)13-7-5-4-6-8-13/h4-11H,3H2,1-2H3.
What are the key properties of 1-ethyl-2-methyl-5-phenylbenzimidazole?
1-ethyl-2-methyl-5-phenylbenzimidazole has a molecular weight of 236.32 g/mol, XLogP of 4.03, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-2-methyl-5-phenylbenzimidazole is sourced from PubChem (CID 746920), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).