4-methyl-2-propyl-3a,7a-dihydro-1H-benzimidazole

C11H16N2 — CID 89098003

IUPAC4-methyl-2-propyl-3a,7a-dihydro-1H-benzimidazole
SMILESCCCC1=NC2C(C)=CC=CC2N1
InChIInChI=1S/C11H16N2/c1-3-5-10-12-9-7-4-6-8(2)11(9)13-10/h4,6-7,9,11H,3,5H2,1-2H3,(H,12,13)
InChIKeyGLDNIRPYZMUSRR-UHFFFAOYSA-N
MW176.26 g/mol
LogP2.04
Rot. Bonds2

About 4-methyl-2-propyl-3a,7a-dihydro-1H-benzimidazole

4-methyl-2-propyl-3a,7a-dihydro-1H-benzimidazole (PubChem CID 89098003) has the molecular formula C11H16N2 and a molecular weight of 176.26 g/mol. Its IUPAC name is 4-methyl-2-propyl-3a,7a-dihydro-1H-benzimidazole.

Molecular Properties

Compound Name4-methyl-2-propyl-3a,7a-dihydro-1H-benzimidazole
PubChem CID89098003
Molecular FormulaC11H16N2
Molecular Weight176.26 g/mol
Exact Mass176.13
IUPAC Name4-methyl-2-propyl-3a,7a-dihydro-1H-benzimidazole
SMILESCCCC1=NC2C(C)=CC=CC2N1
InChIInChI=1S/C11H16N2/c1-3-5-10-12-9-7-4-6-8(2)11(9)13-10/h4,6-7,9,11H,3,5H2,1-2H3,(H,12,13)
InChIKeyGLDNIRPYZMUSRR-UHFFFAOYSA-N
XLogP2.04
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500176.26
LogP ≤ 52.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-methyl-2-propyl-3a,7a-dihydro-1H-benzimidazole?
The IUPAC name of 4-methyl-2-propyl-3a,7a-dihydro-1H-benzimidazole (CID 89098003) is 4-methyl-2-propyl-3a,7a-dihydro-1H-benzimidazole.
What is the SMILES notation for 4-methyl-2-propyl-3a,7a-dihydro-1H-benzimidazole?
The canonical SMILES for 4-methyl-2-propyl-3a,7a-dihydro-1H-benzimidazole is CCCC1=NC2C(C)=CC=CC2N1.
What is the InChIKey of 4-methyl-2-propyl-3a,7a-dihydro-1H-benzimidazole?
The InChIKey is GLDNIRPYZMUSRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N2/c1-3-5-10-12-9-7-4-6-8(2)11(9)13-10/h4,6-7,9,11H,3,5H2,1-2H3,(H,12,13).
What are the key properties of 4-methyl-2-propyl-3a,7a-dihydro-1H-benzimidazole?
4-methyl-2-propyl-3a,7a-dihydro-1H-benzimidazole has a molecular weight of 176.26 g/mol, XLogP of 2.04, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-2-propyl-3a,7a-dihydro-1H-benzimidazole is sourced from PubChem (CID 89098003), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).