2-cyclopropyl-4-ethyl-1H-benzimidazole

C12H14N2 — CID 91216645

IUPAC2-cyclopropyl-4-ethyl-1H-benzimidazole
SMILESCCc1cccc2[nH]c(C3CC3)nc12
InChIInChI=1S/C12H14N2/c1-2-8-4-3-5-10-11(8)14-12(13-10)9-6-7-9/h3-5,9H,2,6-7H2,1H3,(H,13,14)
InChIKeyPYIQWACWUHJZHI-UHFFFAOYSA-N
MW186.26 g/mol
LogP3.00
Rot. Bonds2

About 2-cyclopropyl-4-ethyl-1H-benzimidazole

2-cyclopropyl-4-ethyl-1H-benzimidazole (PubChem CID 91216645) has the molecular formula C12H14N2 and a molecular weight of 186.26 g/mol. Its IUPAC name is 2-cyclopropyl-4-ethyl-1H-benzimidazole.

Molecular Properties

Compound Name2-cyclopropyl-4-ethyl-1H-benzimidazole
PubChem CID91216645
Molecular FormulaC12H14N2
Molecular Weight186.26 g/mol
Exact Mass186.12
IUPAC Name2-cyclopropyl-4-ethyl-1H-benzimidazole
SMILESCCc1cccc2[nH]c(C3CC3)nc12
InChIInChI=1S/C12H14N2/c1-2-8-4-3-5-10-11(8)14-12(13-10)9-6-7-9/h3-5,9H,2,6-7H2,1H3,(H,13,14)
InChIKeyPYIQWACWUHJZHI-UHFFFAOYSA-N
XLogP3.00
TPSA28.68 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.26
LogP ≤ 53.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-cyclopropyl-4-ethyl-1H-benzimidazole?
The IUPAC name of 2-cyclopropyl-4-ethyl-1H-benzimidazole (CID 91216645) is 2-cyclopropyl-4-ethyl-1H-benzimidazole.
What is the SMILES notation for 2-cyclopropyl-4-ethyl-1H-benzimidazole?
The canonical SMILES for 2-cyclopropyl-4-ethyl-1H-benzimidazole is CCc1cccc2[nH]c(C3CC3)nc12.
What is the InChIKey of 2-cyclopropyl-4-ethyl-1H-benzimidazole?
The InChIKey is PYIQWACWUHJZHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N2/c1-2-8-4-3-5-10-11(8)14-12(13-10)9-6-7-9/h3-5,9H,2,6-7H2,1H3,(H,13,14).
What are the key properties of 2-cyclopropyl-4-ethyl-1H-benzimidazole?
2-cyclopropyl-4-ethyl-1H-benzimidazole has a molecular weight of 186.26 g/mol, XLogP of 3.00, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropyl-4-ethyl-1H-benzimidazole is sourced from PubChem (CID 91216645), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).