2-propyl-1H-benzimidazole

C10H12N2 — CID 21624

IUPAC2-propyl-1H-benzimidazole
SMILESCCCc1nc2ccccc2[nH]1
InChIInChI=1S/C10H12N2/c1-2-5-10-11-8-6-3-4-7-9(8)12-10/h3-4,6-7H,2,5H2,1H3,(H,11,12)
InChIKeyFBLJZPQLNMVEMR-UHFFFAOYSA-N
MW160.22 g/mol
LogP2.52
Rot. Bonds2

About 2-propyl-1H-benzimidazole

2-propyl-1H-benzimidazole (PubChem CID 21624) has the molecular formula C10H12N2 and a molecular weight of 160.22 g/mol. Its IUPAC name is 2-propyl-1H-benzimidazole.

Molecular Properties

Compound Name2-propyl-1H-benzimidazole
PubChem CID21624
Molecular FormulaC10H12N2
Molecular Weight160.22 g/mol
Exact Mass160.10
IUPAC Name2-propyl-1H-benzimidazole
SMILESCCCc1nc2ccccc2[nH]1
InChIInChI=1S/C10H12N2/c1-2-5-10-11-8-6-3-4-7-9(8)12-10/h3-4,6-7H,2,5H2,1H3,(H,11,12)
InChIKeyFBLJZPQLNMVEMR-UHFFFAOYSA-N
XLogP2.52
TPSA28.68 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500160.22
LogP ≤ 52.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-propyl-1H-benzimidazole?
The IUPAC name of 2-propyl-1H-benzimidazole (CID 21624) is 2-propyl-1H-benzimidazole.
What is the SMILES notation for 2-propyl-1H-benzimidazole?
The canonical SMILES for 2-propyl-1H-benzimidazole is CCCc1nc2ccccc2[nH]1.
What is the InChIKey of 2-propyl-1H-benzimidazole?
The InChIKey is FBLJZPQLNMVEMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12N2/c1-2-5-10-11-8-6-3-4-7-9(8)12-10/h3-4,6-7H,2,5H2,1H3,(H,11,12).
What are the key properties of 2-propyl-1H-benzimidazole?
2-propyl-1H-benzimidazole has a molecular weight of 160.22 g/mol, XLogP of 2.52, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-propyl-1H-benzimidazole is sourced from PubChem (CID 21624), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).