4-(2,2-dimethylpropyl)-2H-benzimidazole

C12H16N2 — CID 58157732

IUPAC4-(2,2-dimethylpropyl)-2H-benzimidazole
SMILESCC(C)(C)Cc1cccc2c1=NCN=2
InChIInChI=1S/C12H16N2/c1-12(2,3)7-9-5-4-6-10-11(9)14-8-13-10/h4-6H,7-8H2,1-3H3
InChIKeySHMKNBJWKPXANE-UHFFFAOYSA-N
MW188.27 g/mol
LogP1.49
Rot. Bonds1

About 4-(2,2-dimethylpropyl)-2H-benzimidazole

4-(2,2-dimethylpropyl)-2H-benzimidazole (PubChem CID 58157732) has the molecular formula C12H16N2 and a molecular weight of 188.27 g/mol. Its IUPAC name is 4-(2,2-dimethylpropyl)-2H-benzimidazole.

Molecular Properties

Compound Name4-(2,2-dimethylpropyl)-2H-benzimidazole
PubChem CID58157732
Molecular FormulaC12H16N2
Molecular Weight188.27 g/mol
Exact Mass188.13
IUPAC Name4-(2,2-dimethylpropyl)-2H-benzimidazole
SMILESCC(C)(C)Cc1cccc2c1=NCN=2
InChIInChI=1S/C12H16N2/c1-12(2,3)7-9-5-4-6-10-11(9)14-8-13-10/h4-6H,7-8H2,1-3H3
InChIKeySHMKNBJWKPXANE-UHFFFAOYSA-N
XLogP1.49
TPSA24.72 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.27
LogP ≤ 51.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

4-Butyl-2,2-dimethylbenzimidazole
CID 20537660
5-tert-butyl-2H-benzimidazole
CID 21303000
iridium;N-methyl-1-(2,3,3-trimethyl-7H-inden-7-id-1-yl)ethanimine
CID 57687935
iridium;N,3,3-trimethyl-2,9-dihydrocyclopenta[a]naphthalen-9-id-1-imine
CID 57687955
4-propan-2-yl-2H-benzimidazole
CID 58101930
5-(2,2-dimethylpropyl)-2H-benzimidazole
CID 58147203
4-tert-butyl-2H-benzimidazole
CID 59485374
5-(2,3-dimethylbutan-2-yl)-2H-benzimidazole
CID 59568708
2,5-Dimethyl-2-(3-methylbutyl)benzimidazole
CID 71153212
5-methyl-4-propan-2-yl-2H-benzimidazole
CID 89419425
4,7-di(propan-2-yl)-2H-benzimidazole
CID 89446993
4-methyl-7-propan-2-yl-2H-benzimidazole
CID 89451895

Frequently Asked Questions

What is the IUPAC name of 4-(2,2-dimethylpropyl)-2H-benzimidazole?
The IUPAC name of 4-(2,2-dimethylpropyl)-2H-benzimidazole (CID 58157732) is 4-(2,2-dimethylpropyl)-2H-benzimidazole.
What is the SMILES notation for 4-(2,2-dimethylpropyl)-2H-benzimidazole?
The canonical SMILES for 4-(2,2-dimethylpropyl)-2H-benzimidazole is CC(C)(C)Cc1cccc2c1=NCN=2.
What is the InChIKey of 4-(2,2-dimethylpropyl)-2H-benzimidazole?
The InChIKey is SHMKNBJWKPXANE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N2/c1-12(2,3)7-9-5-4-6-10-11(9)14-8-13-10/h4-6H,7-8H2,1-3H3.
What are the key properties of 4-(2,2-dimethylpropyl)-2H-benzimidazole?
4-(2,2-dimethylpropyl)-2H-benzimidazole has a molecular weight of 188.27 g/mol, XLogP of 1.49, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,2-dimethylpropyl)-2H-benzimidazole is sourced from PubChem (CID 58157732), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).