3-(4-methylpentyl)-1,2,6,7-tetrahydrobenzimidazole

C13H22N2 — CID 143246064

IUPAC3-(4-methylpentyl)-1,2,6,7-tetrahydrobenzimidazole
SMILESCC(C)CCCN1CNC2=C1C=CCC2
InChIInChI=1S/C13H22N2/c1-11(2)6-5-9-15-10-14-12-7-3-4-8-13(12)15/h4,8,11,14H,3,5-7,9-10H2,1-2H3
InChIKeyZYFJIEFFNPATAZ-UHFFFAOYSA-N
MW206.33 g/mol
LogP2.85
Rot. Bonds4

About 3-(4-methylpentyl)-1,2,6,7-tetrahydrobenzimidazole

3-(4-methylpentyl)-1,2,6,7-tetrahydrobenzimidazole (PubChem CID 143246064) has the molecular formula C13H22N2 and a molecular weight of 206.33 g/mol. Its IUPAC name is 3-(4-methylpentyl)-1,2,6,7-tetrahydrobenzimidazole.

Molecular Properties

Compound Name3-(4-methylpentyl)-1,2,6,7-tetrahydrobenzimidazole
PubChem CID143246064
Molecular FormulaC13H22N2
Molecular Weight206.33 g/mol
Exact Mass206.18
IUPAC Name3-(4-methylpentyl)-1,2,6,7-tetrahydrobenzimidazole
SMILESCC(C)CCCN1CNC2=C1C=CCC2
InChIInChI=1S/C13H22N2/c1-11(2)6-5-9-15-10-14-12-7-3-4-8-13(12)15/h4,8,11,14H,3,5-7,9-10H2,1-2H3
InChIKeyZYFJIEFFNPATAZ-UHFFFAOYSA-N
XLogP2.85
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.33
LogP ≤ 52.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-(4-methylpentyl)-1,2,6,7-tetrahydrobenzimidazole?
The IUPAC name of 3-(4-methylpentyl)-1,2,6,7-tetrahydrobenzimidazole (CID 143246064) is 3-(4-methylpentyl)-1,2,6,7-tetrahydrobenzimidazole.
What is the SMILES notation for 3-(4-methylpentyl)-1,2,6,7-tetrahydrobenzimidazole?
The canonical SMILES for 3-(4-methylpentyl)-1,2,6,7-tetrahydrobenzimidazole is CC(C)CCCN1CNC2=C1C=CCC2.
What is the InChIKey of 3-(4-methylpentyl)-1,2,6,7-tetrahydrobenzimidazole?
The InChIKey is ZYFJIEFFNPATAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N2/c1-11(2)6-5-9-15-10-14-12-7-3-4-8-13(12)15/h4,8,11,14H,3,5-7,9-10H2,1-2H3.
What are the key properties of 3-(4-methylpentyl)-1,2,6,7-tetrahydrobenzimidazole?
3-(4-methylpentyl)-1,2,6,7-tetrahydrobenzimidazole has a molecular weight of 206.33 g/mol, XLogP of 2.85, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-methylpentyl)-1,2,6,7-tetrahydrobenzimidazole is sourced from PubChem (CID 143246064), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).