1-cyclopropyl-2-methyl-3a,7a-dihydrobenzimidazole

C11H14N2 — CID 89012739

IUPAC1-cyclopropyl-2-methyl-3a,7a-dihydrobenzimidazole
SMILESCC1=NC2C=CC=CC2N1C1CC1
InChIInChI=1S/C11H14N2/c1-8-12-10-4-2-3-5-11(10)13(8)9-6-7-9/h2-5,9-11H,6-7H2,1H3
InChIKeyCLRMJUWEMZDJFU-UHFFFAOYSA-N
MW174.25 g/mol
LogP1.75
Rot. Bonds1

About 1-cyclopropyl-2-methyl-3a,7a-dihydrobenzimidazole

1-cyclopropyl-2-methyl-3a,7a-dihydrobenzimidazole (PubChem CID 89012739) has the molecular formula C11H14N2 and a molecular weight of 174.25 g/mol. Its IUPAC name is 1-cyclopropyl-2-methyl-3a,7a-dihydrobenzimidazole.

Molecular Properties

Compound Name1-cyclopropyl-2-methyl-3a,7a-dihydrobenzimidazole
PubChem CID89012739
Molecular FormulaC11H14N2
Molecular Weight174.25 g/mol
Exact Mass174.12
IUPAC Name1-cyclopropyl-2-methyl-3a,7a-dihydrobenzimidazole
SMILESCC1=NC2C=CC=CC2N1C1CC1
InChIInChI=1S/C11H14N2/c1-8-12-10-4-2-3-5-11(10)13(8)9-6-7-9/h2-5,9-11H,6-7H2,1H3
InChIKeyCLRMJUWEMZDJFU-UHFFFAOYSA-N
XLogP1.75
TPSA15.60 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500174.25
LogP ≤ 51.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-cyclopropyl-2-methyl-3a,7a-dihydrobenzimidazole?
The IUPAC name of 1-cyclopropyl-2-methyl-3a,7a-dihydrobenzimidazole (CID 89012739) is 1-cyclopropyl-2-methyl-3a,7a-dihydrobenzimidazole.
What is the SMILES notation for 1-cyclopropyl-2-methyl-3a,7a-dihydrobenzimidazole?
The canonical SMILES for 1-cyclopropyl-2-methyl-3a,7a-dihydrobenzimidazole is CC1=NC2C=CC=CC2N1C1CC1.
What is the InChIKey of 1-cyclopropyl-2-methyl-3a,7a-dihydrobenzimidazole?
The InChIKey is CLRMJUWEMZDJFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N2/c1-8-12-10-4-2-3-5-11(10)13(8)9-6-7-9/h2-5,9-11H,6-7H2,1H3.
What are the key properties of 1-cyclopropyl-2-methyl-3a,7a-dihydrobenzimidazole?
1-cyclopropyl-2-methyl-3a,7a-dihydrobenzimidazole has a molecular weight of 174.25 g/mol, XLogP of 1.75, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopropyl-2-methyl-3a,7a-dihydrobenzimidazole is sourced from PubChem (CID 89012739), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).