3-methyl-2-propan-2-yl-1,2-dihydrobenzimidazole

C11H16N2 — CID 130205094

IUPAC3-methyl-2-propan-2-yl-1,2-dihydrobenzimidazole
SMILESCC(C)C1Nc2ccccc2N1C
InChIInChI=1S/C11H16N2/c1-8(2)11-12-9-6-4-5-7-10(9)13(11)3/h4-8,11-12H,1-3H3
InChIKeyOTMHMXLTMGLVIT-UHFFFAOYSA-N
MW176.26 g/mol
LogP2.53
Rot. Bonds1

About 3-methyl-2-propan-2-yl-1,2-dihydrobenzimidazole

3-methyl-2-propan-2-yl-1,2-dihydrobenzimidazole (PubChem CID 130205094) has the molecular formula C11H16N2 and a molecular weight of 176.26 g/mol. Its IUPAC name is 3-methyl-2-propan-2-yl-1,2-dihydrobenzimidazole.

Molecular Properties

Compound Name3-methyl-2-propan-2-yl-1,2-dihydrobenzimidazole
PubChem CID130205094
Molecular FormulaC11H16N2
Molecular Weight176.26 g/mol
Exact Mass176.13
IUPAC Name3-methyl-2-propan-2-yl-1,2-dihydrobenzimidazole
SMILESCC(C)C1Nc2ccccc2N1C
InChIInChI=1S/C11H16N2/c1-8(2)11-12-9-6-4-5-7-10(9)13(11)3/h4-8,11-12H,1-3H3
InChIKeyOTMHMXLTMGLVIT-UHFFFAOYSA-N
XLogP2.53
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500176.26
LogP ≤ 52.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of 3-methyl-2-propan-2-yl-1,2-dihydrobenzimidazole?
The IUPAC name of 3-methyl-2-propan-2-yl-1,2-dihydrobenzimidazole (CID 130205094) is 3-methyl-2-propan-2-yl-1,2-dihydrobenzimidazole.
What is the SMILES notation for 3-methyl-2-propan-2-yl-1,2-dihydrobenzimidazole?
The canonical SMILES for 3-methyl-2-propan-2-yl-1,2-dihydrobenzimidazole is CC(C)C1Nc2ccccc2N1C.
What is the InChIKey of 3-methyl-2-propan-2-yl-1,2-dihydrobenzimidazole?
The InChIKey is OTMHMXLTMGLVIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N2/c1-8(2)11-12-9-6-4-5-7-10(9)13(11)3/h4-8,11-12H,1-3H3.
What are the key properties of 3-methyl-2-propan-2-yl-1,2-dihydrobenzimidazole?
3-methyl-2-propan-2-yl-1,2-dihydrobenzimidazole has a molecular weight of 176.26 g/mol, XLogP of 2.53, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-2-propan-2-yl-1,2-dihydrobenzimidazole is sourced from PubChem (CID 130205094), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).