4-(4,4-dimethylpentyl)-5,7-dimethyl-2H-benzimidazole

C16H24N2 — CID 149228042

IUPAC4-(4,4-dimethylpentyl)-5,7-dimethyl-2H-benzimidazole
SMILESCc1cc(C)c2c(c1CCCC(C)(C)C)=NCN=2
InChIInChI=1S/C16H24N2/c1-11-9-12(2)14-15(18-10-17-14)13(11)7-6-8-16(3,4)5/h9H,6-8,10H2,1-5H3
InChIKeyRBJFZXZRXWNYNM-UHFFFAOYSA-N
MW244.38 g/mol
LogP2.88
Rot. Bonds3

About 4-(4,4-dimethylpentyl)-5,7-dimethyl-2H-benzimidazole

4-(4,4-dimethylpentyl)-5,7-dimethyl-2H-benzimidazole (PubChem CID 149228042) has the molecular formula C16H24N2 and a molecular weight of 244.38 g/mol. Its IUPAC name is 4-(4,4-dimethylpentyl)-5,7-dimethyl-2H-benzimidazole.

Molecular Properties

Compound Name4-(4,4-dimethylpentyl)-5,7-dimethyl-2H-benzimidazole
PubChem CID149228042
Molecular FormulaC16H24N2
Molecular Weight244.38 g/mol
Exact Mass244.19
IUPAC Name4-(4,4-dimethylpentyl)-5,7-dimethyl-2H-benzimidazole
SMILESCc1cc(C)c2c(c1CCCC(C)(C)C)=NCN=2
InChIInChI=1S/C16H24N2/c1-11-9-12(2)14-15(18-10-17-14)13(11)7-6-8-16(3,4)5/h9H,6-8,10H2,1-5H3
InChIKeyRBJFZXZRXWNYNM-UHFFFAOYSA-N
XLogP2.88
TPSA24.72 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.38
LogP ≤ 52.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

4,7-ditert-butyl-5,6-difluoro-2H-benzimidazole
CID 134451233
4,7-Ditert-butyl-5,6-difluoro-2,2-dimethylbenzimidazole
CID 145599085
iridium;N,3,3-trimethyl-2,9-dihydrocyclopenta[a]naphthalen-9-id-1-imine
CID 57687955
4-methyl-7-(4-methylcyclopenta-1,3-dien-1-yl)-2H-benzimidazole
CID 58019378
5-(2,2-dimethylpropyl)-2H-benzimidazole
CID 58147203
4-(2,2-dimethylpropyl)-2H-benzimidazole
CID 58157732
4,7-diethyl-2H-benzimidazole
CID 58776602
4,7-bis(4-methylcyclopenta-1,3-dien-1-yl)-2H-benzimidazole
CID 59380760
4-tert-butyl-2H-benzimidazole
CID 59485374
3-[(2E,4E)-5,6-dimethylhepta-2,4-dien-2-yl]-1-N,2-N-dimethyl-6-[(2E,4E)-5,6,6-trimethylhepta-2,4-dien-2-yl]cyclohexa-3,5-diene-1,2-diimine
CID 87085215
1-N,2-N-dimethyl-3,6-bis[(2E,4E)-5,6,6-trimethylhepta-2,4-dien-2-yl]cyclohexa-3,5-diene-1,2-diimine
CID 88553588
1-N,2-N,4,5-tetramethyl-3,6-bis[(2E,4E)-5,6,6-trimethylocta-2,4-dien-2-yl]cyclohexa-3,5-diene-1,2-diimine
CID 88556051

Frequently Asked Questions

What is the IUPAC name of 4-(4,4-dimethylpentyl)-5,7-dimethyl-2H-benzimidazole?
The IUPAC name of 4-(4,4-dimethylpentyl)-5,7-dimethyl-2H-benzimidazole (CID 149228042) is 4-(4,4-dimethylpentyl)-5,7-dimethyl-2H-benzimidazole.
What is the SMILES notation for 4-(4,4-dimethylpentyl)-5,7-dimethyl-2H-benzimidazole?
The canonical SMILES for 4-(4,4-dimethylpentyl)-5,7-dimethyl-2H-benzimidazole is Cc1cc(C)c2c(c1CCCC(C)(C)C)=NCN=2.
What is the InChIKey of 4-(4,4-dimethylpentyl)-5,7-dimethyl-2H-benzimidazole?
The InChIKey is RBJFZXZRXWNYNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2/c1-11-9-12(2)14-15(18-10-17-14)13(11)7-6-8-16(3,4)5/h9H,6-8,10H2,1-5H3.
What are the key properties of 4-(4,4-dimethylpentyl)-5,7-dimethyl-2H-benzimidazole?
4-(4,4-dimethylpentyl)-5,7-dimethyl-2H-benzimidazole has a molecular weight of 244.38 g/mol, XLogP of 2.88, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4,4-dimethylpentyl)-5,7-dimethyl-2H-benzimidazole is sourced from PubChem (CID 149228042), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).