2-methyl-1-propan-2-yl-3a,7a-dihydrobenzimidazole

C11H16N2 — CID 89144272

IUPAC2-methyl-1-propan-2-yl-3a,7a-dihydrobenzimidazole
SMILESCC1=NC2C=CC=CC2N1C(C)C
InChIInChI=1S/C11H16N2/c1-8(2)13-9(3)12-10-6-4-5-7-11(10)13/h4-8,10-11H,1-3H3
InChIKeyYLQQVQRSMJOUJP-UHFFFAOYSA-N
MW176.26 g/mol
LogP1.99
Rot. Bonds1

About 2-methyl-1-propan-2-yl-3a,7a-dihydrobenzimidazole

2-methyl-1-propan-2-yl-3a,7a-dihydrobenzimidazole (PubChem CID 89144272) has the molecular formula C11H16N2 and a molecular weight of 176.26 g/mol. Its IUPAC name is 2-methyl-1-propan-2-yl-3a,7a-dihydrobenzimidazole.

Molecular Properties

Compound Name2-methyl-1-propan-2-yl-3a,7a-dihydrobenzimidazole
PubChem CID89144272
Molecular FormulaC11H16N2
Molecular Weight176.26 g/mol
Exact Mass176.13
IUPAC Name2-methyl-1-propan-2-yl-3a,7a-dihydrobenzimidazole
SMILESCC1=NC2C=CC=CC2N1C(C)C
InChIInChI=1S/C11H16N2/c1-8(2)13-9(3)12-10-6-4-5-7-11(10)13/h4-8,10-11H,1-3H3
InChIKeyYLQQVQRSMJOUJP-UHFFFAOYSA-N
XLogP1.99
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 ≤ 51.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-1-propan-2-yl-3a,7a-dihydrobenzimidazole?
The IUPAC name of 2-methyl-1-propan-2-yl-3a,7a-dihydrobenzimidazole (CID 89144272) is 2-methyl-1-propan-2-yl-3a,7a-dihydrobenzimidazole.
What is the SMILES notation for 2-methyl-1-propan-2-yl-3a,7a-dihydrobenzimidazole?
The canonical SMILES for 2-methyl-1-propan-2-yl-3a,7a-dihydrobenzimidazole is CC1=NC2C=CC=CC2N1C(C)C.
What is the InChIKey of 2-methyl-1-propan-2-yl-3a,7a-dihydrobenzimidazole?
The InChIKey is YLQQVQRSMJOUJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N2/c1-8(2)13-9(3)12-10-6-4-5-7-11(10)13/h4-8,10-11H,1-3H3.
What are the key properties of 2-methyl-1-propan-2-yl-3a,7a-dihydrobenzimidazole?
2-methyl-1-propan-2-yl-3a,7a-dihydrobenzimidazole has a molecular weight of 176.26 g/mol, XLogP of 1.99, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-1-propan-2-yl-3a,7a-dihydrobenzimidazole is sourced from PubChem (CID 89144272), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).