2-heptan-3-yl-1,4-dimethylbenzimidazole

C16H24N2 — CID 22734816

IUPAC2-heptan-3-yl-1,4-dimethylbenzimidazole
SMILESCCCCC(CC)c1nc2c(C)cccc2n1C
InChIInChI=1S/C16H24N2/c1-5-7-10-13(6-2)16-17-15-12(3)9-8-11-14(15)18(16)4/h8-9,11,13H,5-7,10H2,1-4H3
InChIKeyJDACISDRDUTNNW-UHFFFAOYSA-N
MW244.38 g/mol
LogP4.57
Rot. Bonds5

About 2-heptan-3-yl-1,4-dimethylbenzimidazole

2-heptan-3-yl-1,4-dimethylbenzimidazole (PubChem CID 22734816) has the molecular formula C16H24N2 and a molecular weight of 244.38 g/mol. Its IUPAC name is 2-heptan-3-yl-1,4-dimethylbenzimidazole.

Molecular Properties

Compound Name2-heptan-3-yl-1,4-dimethylbenzimidazole
PubChem CID22734816
Molecular FormulaC16H24N2
Molecular Weight244.38 g/mol
Exact Mass244.19
IUPAC Name2-heptan-3-yl-1,4-dimethylbenzimidazole
SMILESCCCCC(CC)c1nc2c(C)cccc2n1C
InChIInChI=1S/C16H24N2/c1-5-7-10-13(6-2)16-17-15-12(3)9-8-11-14(15)18(16)4/h8-9,11,13H,5-7,10H2,1-4H3
InChIKeyJDACISDRDUTNNW-UHFFFAOYSA-N
XLogP4.57
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.38
LogP ≤ 54.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-heptan-3-yl-1,4-dimethylbenzimidazole?
The IUPAC name of 2-heptan-3-yl-1,4-dimethylbenzimidazole (CID 22734816) is 2-heptan-3-yl-1,4-dimethylbenzimidazole.
What is the SMILES notation for 2-heptan-3-yl-1,4-dimethylbenzimidazole?
The canonical SMILES for 2-heptan-3-yl-1,4-dimethylbenzimidazole is CCCCC(CC)c1nc2c(C)cccc2n1C.
What is the InChIKey of 2-heptan-3-yl-1,4-dimethylbenzimidazole?
The InChIKey is JDACISDRDUTNNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2/c1-5-7-10-13(6-2)16-17-15-12(3)9-8-11-14(15)18(16)4/h8-9,11,13H,5-7,10H2,1-4H3.
What are the key properties of 2-heptan-3-yl-1,4-dimethylbenzimidazole?
2-heptan-3-yl-1,4-dimethylbenzimidazole has a molecular weight of 244.38 g/mol, XLogP of 4.57, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-heptan-3-yl-1,4-dimethylbenzimidazole is sourced from PubChem (CID 22734816), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).