1-methylbenzimidazole;propane

C11H16N2 — CID 91130597

IUPAC1-methylbenzimidazole;propane
SMILESCCC.Cn1cnc2ccccc21
InChIInChI=1S/C8H8N2.C3H8/c1-10-6-9-7-4-2-3-5-8(7)10;1-3-2/h2-6H,1H3;3H2,1-2H3
InChIKeyHNVRNDQXPMRQDI-UHFFFAOYSA-N
MW176.26 g/mol
LogP2.99
Rot. Bonds

About 1-methylbenzimidazole;propane

1-methylbenzimidazole;propane (PubChem CID 91130597) has the molecular formula C11H16N2 and a molecular weight of 176.26 g/mol. Its IUPAC name is 1-methylbenzimidazole;propane.

Molecular Properties

Compound Name1-methylbenzimidazole;propane
PubChem CID91130597
Molecular FormulaC11H16N2
Molecular Weight176.26 g/mol
Exact Mass176.13
IUPAC Name1-methylbenzimidazole;propane
SMILESCCC.Cn1cnc2ccccc21
InChIInChI=1S/C8H8N2.C3H8/c1-10-6-9-7-4-2-3-5-8(7)10;1-3-2/h2-6H,1H3;3H2,1-2H3
InChIKeyHNVRNDQXPMRQDI-UHFFFAOYSA-N
XLogP2.99
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500176.26
LogP ≤ 52.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of 1-methylbenzimidazole;propane?
The IUPAC name of 1-methylbenzimidazole;propane (CID 91130597) is 1-methylbenzimidazole;propane.
What is the SMILES notation for 1-methylbenzimidazole;propane?
The canonical SMILES for 1-methylbenzimidazole;propane is CCC.Cn1cnc2ccccc21.
What is the InChIKey of 1-methylbenzimidazole;propane?
The InChIKey is HNVRNDQXPMRQDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8N2.C3H8/c1-10-6-9-7-4-2-3-5-8(7)10;1-3-2/h2-6H,1H3;3H2,1-2H3.
What are the key properties of 1-methylbenzimidazole;propane?
1-methylbenzimidazole;propane has a molecular weight of 176.26 g/mol, XLogP of 2.99, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methylbenzimidazole;propane is sourced from PubChem (CID 91130597), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).