6-methyl-3-propan-2-yl-3a,4-dihydrobenzimidazole

C11H16N2 — CID 139297563

IUPAC6-methyl-3-propan-2-yl-3a,4-dihydrobenzimidazole
SMILESCC1=CCC2C(=C1)N=CN2C(C)C
InChIInChI=1S/C11H16N2/c1-8(2)13-7-12-10-6-9(3)4-5-11(10)13/h4,6-8,11H,5H2,1-3H3
InChIKeyNILQFUJYZGKFAY-UHFFFAOYSA-N
MW176.26 g/mol
LogP2.34
Rot. Bonds1

About 6-methyl-3-propan-2-yl-3a,4-dihydrobenzimidazole

6-methyl-3-propan-2-yl-3a,4-dihydrobenzimidazole (PubChem CID 139297563) has the molecular formula C11H16N2 and a molecular weight of 176.26 g/mol. Its IUPAC name is 6-methyl-3-propan-2-yl-3a,4-dihydrobenzimidazole.

Molecular Properties

Compound Name6-methyl-3-propan-2-yl-3a,4-dihydrobenzimidazole
PubChem CID139297563
Molecular FormulaC11H16N2
Molecular Weight176.26 g/mol
Exact Mass176.13
IUPAC Name6-methyl-3-propan-2-yl-3a,4-dihydrobenzimidazole
SMILESCC1=CCC2C(=C1)N=CN2C(C)C
InChIInChI=1S/C11H16N2/c1-8(2)13-7-12-10-6-9(3)4-5-11(10)13/h4,6-8,11H,5H2,1-3H3
InChIKeyNILQFUJYZGKFAY-UHFFFAOYSA-N
XLogP2.34
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 ≤ 52.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 6-methyl-3-propan-2-yl-3a,4-dihydrobenzimidazole?
The IUPAC name of 6-methyl-3-propan-2-yl-3a,4-dihydrobenzimidazole (CID 139297563) is 6-methyl-3-propan-2-yl-3a,4-dihydrobenzimidazole.
What is the SMILES notation for 6-methyl-3-propan-2-yl-3a,4-dihydrobenzimidazole?
The canonical SMILES for 6-methyl-3-propan-2-yl-3a,4-dihydrobenzimidazole is CC1=CCC2C(=C1)N=CN2C(C)C.
What is the InChIKey of 6-methyl-3-propan-2-yl-3a,4-dihydrobenzimidazole?
The InChIKey is NILQFUJYZGKFAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N2/c1-8(2)13-7-12-10-6-9(3)4-5-11(10)13/h4,6-8,11H,5H2,1-3H3.
What are the key properties of 6-methyl-3-propan-2-yl-3a,4-dihydrobenzimidazole?
6-methyl-3-propan-2-yl-3a,4-dihydrobenzimidazole has a molecular weight of 176.26 g/mol, XLogP of 2.34, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-3-propan-2-yl-3a,4-dihydrobenzimidazole is sourced from PubChem (CID 139297563), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).