3-methyl-5-propan-2-yl-2,3a-dihydrobenzimidazole

C11H16N2 — CID 143715537

IUPAC3-methyl-5-propan-2-yl-2,3a-dihydrobenzimidazole
SMILESCC(C)C1=CC2C(=NCN2C)C=C1
InChIInChI=1S/C11H16N2/c1-8(2)9-4-5-10-11(6-9)13(3)7-12-10/h4-6,8,11H,7H2,1-3H3
InChIKeyZTHLRAVQJIOLJR-UHFFFAOYSA-N
MW176.26 g/mol
LogP1.85
Rot. Bonds1

About 3-methyl-5-propan-2-yl-2,3a-dihydrobenzimidazole

3-methyl-5-propan-2-yl-2,3a-dihydrobenzimidazole (PubChem CID 143715537) has the molecular formula C11H16N2 and a molecular weight of 176.26 g/mol. Its IUPAC name is 3-methyl-5-propan-2-yl-2,3a-dihydrobenzimidazole.

Molecular Properties

Compound Name3-methyl-5-propan-2-yl-2,3a-dihydrobenzimidazole
PubChem CID143715537
Molecular FormulaC11H16N2
Molecular Weight176.26 g/mol
Exact Mass176.13
IUPAC Name3-methyl-5-propan-2-yl-2,3a-dihydrobenzimidazole
SMILESCC(C)C1=CC2C(=NCN2C)C=C1
InChIInChI=1S/C11H16N2/c1-8(2)9-4-5-10-11(6-9)13(3)7-12-10/h4-6,8,11H,7H2,1-3H3
InChIKeyZTHLRAVQJIOLJR-UHFFFAOYSA-N
XLogP1.85
TPSA15.60 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500176.26
LogP ≤ 51.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

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1-butyl-3-ethyl-2H-benzimidazole-1,3-diium
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2-propan-2-yl-2H-indole
CID 68035386
1,2,3,4-tetramethyl-2H-indol-1-ium iodide
CID 87401852
1,2,3,5-tetramethyl-2H-indol-1-ium iodide
CID 88053066
3-Methyl-2,3a-dihydrobenzimidazole
CID 90246614
2-(2,3-dimethyl-6H-indol-6-yl)ethyl-trimethylazanium
CID 90422117
2-ethyl-1-methyl-2H-benzimidazol-1-ium
CID 90908036
2-methyl-5-propan-2-yl-2H-benzimidazole
CID 117619716
9-methyl-8aH-carbazol-9-ium
CID 123210854
5-(3,5-dimethyl-2H-pyrrol-4-yl)-1,3-dimethyl-2-[(Z)-3-methylpent-1-enyl]-2H-pyridine
CID 135294824
Ethane;3-methyl-5-propan-2-yl-2,3a-dihydrobenzimidazole
CID 143715536

Frequently Asked Questions

What is the IUPAC name of 3-methyl-5-propan-2-yl-2,3a-dihydrobenzimidazole?
The IUPAC name of 3-methyl-5-propan-2-yl-2,3a-dihydrobenzimidazole (CID 143715537) is 3-methyl-5-propan-2-yl-2,3a-dihydrobenzimidazole.
What is the SMILES notation for 3-methyl-5-propan-2-yl-2,3a-dihydrobenzimidazole?
The canonical SMILES for 3-methyl-5-propan-2-yl-2,3a-dihydrobenzimidazole is CC(C)C1=CC2C(=NCN2C)C=C1.
What is the InChIKey of 3-methyl-5-propan-2-yl-2,3a-dihydrobenzimidazole?
The InChIKey is ZTHLRAVQJIOLJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N2/c1-8(2)9-4-5-10-11(6-9)13(3)7-12-10/h4-6,8,11H,7H2,1-3H3.
What are the key properties of 3-methyl-5-propan-2-yl-2,3a-dihydrobenzimidazole?
3-methyl-5-propan-2-yl-2,3a-dihydrobenzimidazole has a molecular weight of 176.26 g/mol, XLogP of 1.85, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-5-propan-2-yl-2,3a-dihydrobenzimidazole is sourced from PubChem (CID 143715537), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).