2-heptan-4-yl-6-methyl-4,5,6,7-tetrahydro-1H-benzimidazole

C15H26N2 — CID 82995898

IUPAC2-heptan-4-yl-6-methyl-4,5,6,7-tetrahydro-1H-benzimidazole
SMILESCCCC(CCC)c1nc2c([nH]1)CC(C)CC2
InChIInChI=1S/C15H26N2/c1-4-6-12(7-5-2)15-16-13-9-8-11(3)10-14(13)17-15/h11-12H,4-10H2,1-3H3,(H,16,17)
InChIKeyIDRIRFOEMJIRDN-UHFFFAOYSA-N
MW234.39 g/mol
LogP4.22
Rot. Bonds5

About 2-heptan-4-yl-6-methyl-4,5,6,7-tetrahydro-1H-benzimidazole

2-heptan-4-yl-6-methyl-4,5,6,7-tetrahydro-1H-benzimidazole (PubChem CID 82995898) has the molecular formula C15H26N2 and a molecular weight of 234.39 g/mol. Its IUPAC name is 2-heptan-4-yl-6-methyl-4,5,6,7-tetrahydro-1H-benzimidazole.

Molecular Properties

Compound Name2-heptan-4-yl-6-methyl-4,5,6,7-tetrahydro-1H-benzimidazole
PubChem CID82995898
Molecular FormulaC15H26N2
Molecular Weight234.39 g/mol
Exact Mass234.21
IUPAC Name2-heptan-4-yl-6-methyl-4,5,6,7-tetrahydro-1H-benzimidazole
SMILESCCCC(CCC)c1nc2c([nH]1)CC(C)CC2
InChIInChI=1S/C15H26N2/c1-4-6-12(7-5-2)15-16-13-9-8-11(3)10-14(13)17-15/h11-12H,4-10H2,1-3H3,(H,16,17)
InChIKeyIDRIRFOEMJIRDN-UHFFFAOYSA-N
XLogP4.22
TPSA28.68 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.39
LogP ≤ 54.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-heptan-4-yl-6-methyl-4,5,6,7-tetrahydro-1H-benzimidazole?
The IUPAC name of 2-heptan-4-yl-6-methyl-4,5,6,7-tetrahydro-1H-benzimidazole (CID 82995898) is 2-heptan-4-yl-6-methyl-4,5,6,7-tetrahydro-1H-benzimidazole.
What is the SMILES notation for 2-heptan-4-yl-6-methyl-4,5,6,7-tetrahydro-1H-benzimidazole?
The canonical SMILES for 2-heptan-4-yl-6-methyl-4,5,6,7-tetrahydro-1H-benzimidazole is CCCC(CCC)c1nc2c([nH]1)CC(C)CC2.
What is the InChIKey of 2-heptan-4-yl-6-methyl-4,5,6,7-tetrahydro-1H-benzimidazole?
The InChIKey is IDRIRFOEMJIRDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N2/c1-4-6-12(7-5-2)15-16-13-9-8-11(3)10-14(13)17-15/h11-12H,4-10H2,1-3H3,(H,16,17).
What are the key properties of 2-heptan-4-yl-6-methyl-4,5,6,7-tetrahydro-1H-benzimidazole?
2-heptan-4-yl-6-methyl-4,5,6,7-tetrahydro-1H-benzimidazole has a molecular weight of 234.39 g/mol, XLogP of 4.22, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-heptan-4-yl-6-methyl-4,5,6,7-tetrahydro-1H-benzimidazole is sourced from PubChem (CID 82995898), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).