2-methyl-1-(4-methylcycloheptyl)-5,6-dihydrobenzimidazole

C16H24N2 — CID 142909646

IUPAC2-methyl-1-(4-methylcycloheptyl)-5,6-dihydrobenzimidazole
SMILESCc1nc2c(n1C1CCCC(C)CC1)=CCCC=2
InChIInChI=1S/C16H24N2/c1-12-6-5-7-14(11-10-12)18-13(2)17-15-8-3-4-9-16(15)18/h8-9,12,14H,3-7,10-11H2,1-2H3
InChIKeyUDCJNYBRHAWPPP-UHFFFAOYSA-N
MW244.38 g/mol
LogP2.69
Rot. Bonds1

About 2-methyl-1-(4-methylcycloheptyl)-5,6-dihydrobenzimidazole

2-methyl-1-(4-methylcycloheptyl)-5,6-dihydrobenzimidazole (PubChem CID 142909646) has the molecular formula C16H24N2 and a molecular weight of 244.38 g/mol. Its IUPAC name is 2-methyl-1-(4-methylcycloheptyl)-5,6-dihydrobenzimidazole.

Molecular Properties

Compound Name2-methyl-1-(4-methylcycloheptyl)-5,6-dihydrobenzimidazole
PubChem CID142909646
Molecular FormulaC16H24N2
Molecular Weight244.38 g/mol
Exact Mass244.19
IUPAC Name2-methyl-1-(4-methylcycloheptyl)-5,6-dihydrobenzimidazole
SMILESCc1nc2c(n1C1CCCC(C)CC1)=CCCC=2
InChIInChI=1S/C16H24N2/c1-12-6-5-7-14(11-10-12)18-13(2)17-15-8-3-4-9-16(15)18/h8-9,12,14H,3-7,10-11H2,1-2H3
InChIKeyUDCJNYBRHAWPPP-UHFFFAOYSA-N
XLogP2.69
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.38
LogP ≤ 52.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

(4E)-1-(cycloheptylmethyl)-2-[(2E)-5-methylhexa-2,4-dien-2-yl]-4-(4-methylhex-3-enylidene)-5-methylideneimidazole
CID 143663039

Frequently Asked Questions

What is the IUPAC name of 2-methyl-1-(4-methylcycloheptyl)-5,6-dihydrobenzimidazole?
The IUPAC name of 2-methyl-1-(4-methylcycloheptyl)-5,6-dihydrobenzimidazole (CID 142909646) is 2-methyl-1-(4-methylcycloheptyl)-5,6-dihydrobenzimidazole.
What is the SMILES notation for 2-methyl-1-(4-methylcycloheptyl)-5,6-dihydrobenzimidazole?
The canonical SMILES for 2-methyl-1-(4-methylcycloheptyl)-5,6-dihydrobenzimidazole is Cc1nc2c(n1C1CCCC(C)CC1)=CCCC=2.
What is the InChIKey of 2-methyl-1-(4-methylcycloheptyl)-5,6-dihydrobenzimidazole?
The InChIKey is UDCJNYBRHAWPPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2/c1-12-6-5-7-14(11-10-12)18-13(2)17-15-8-3-4-9-16(15)18/h8-9,12,14H,3-7,10-11H2,1-2H3.
What are the key properties of 2-methyl-1-(4-methylcycloheptyl)-5,6-dihydrobenzimidazole?
2-methyl-1-(4-methylcycloheptyl)-5,6-dihydrobenzimidazole has a molecular weight of 244.38 g/mol, XLogP of 2.69, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-1-(4-methylcycloheptyl)-5,6-dihydrobenzimidazole is sourced from PubChem (CID 142909646), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).