1-ethyl-2-methylbenzimidazole

C10H12N2 — CID 22054

IUPAC1-ethyl-2-methylbenzimidazole
SMILESCCn1c(C)nc2ccccc21
InChIInChI=1S/C10H12N2/c1-3-12-8(2)11-9-6-4-5-7-10(9)12/h4-7H,3H2,1-2H3
InChIKeyIPNPFISPYWNXBR-UHFFFAOYSA-N
MW160.22 g/mol
LogP2.36
Rot. Bonds1

About 1-ethyl-2-methylbenzimidazole

1-ethyl-2-methylbenzimidazole (PubChem CID 22054) has the molecular formula C10H12N2 and a molecular weight of 160.22 g/mol. Its IUPAC name is 1-ethyl-2-methylbenzimidazole.

Molecular Properties

Compound Name1-ethyl-2-methylbenzimidazole
PubChem CID22054
Molecular FormulaC10H12N2
Molecular Weight160.22 g/mol
Exact Mass160.10
IUPAC Name1-ethyl-2-methylbenzimidazole
SMILESCCn1c(C)nc2ccccc21
InChIInChI=1S/C10H12N2/c1-3-12-8(2)11-9-6-4-5-7-10(9)12/h4-7H,3H2,1-2H3
InChIKeyIPNPFISPYWNXBR-UHFFFAOYSA-N
XLogP2.36
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500160.22
LogP ≤ 52.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-ethyl-2-methylbenzimidazole?
The IUPAC name of 1-ethyl-2-methylbenzimidazole (CID 22054) is 1-ethyl-2-methylbenzimidazole.
What is the SMILES notation for 1-ethyl-2-methylbenzimidazole?
The canonical SMILES for 1-ethyl-2-methylbenzimidazole is CCn1c(C)nc2ccccc21.
What is the InChIKey of 1-ethyl-2-methylbenzimidazole?
The InChIKey is IPNPFISPYWNXBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12N2/c1-3-12-8(2)11-9-6-4-5-7-10(9)12/h4-7H,3H2,1-2H3.
What are the key properties of 1-ethyl-2-methylbenzimidazole?
1-ethyl-2-methylbenzimidazole has a molecular weight of 160.22 g/mol, XLogP of 2.36, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-2-methylbenzimidazole is sourced from PubChem (CID 22054), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).