5-methyl-4,7-di(propan-2-yl)-2H-benzimidazole

C14H20N2 — CID 153129262

IUPAC5-methyl-4,7-di(propan-2-yl)-2H-benzimidazole
SMILESCc1cc(C(C)C)c2c(c1C(C)C)=NCN=2
InChIInChI=1S/C14H20N2/c1-8(2)11-6-10(5)12(9(3)4)14-13(11)15-7-16-14/h6,8-9H,7H2,1-5H3
InChIKeyWBERDRJMQXMKBX-UHFFFAOYSA-N
MW216.33 g/mol
LogP2.45
Rot. Bonds2

About 5-methyl-4,7-di(propan-2-yl)-2H-benzimidazole

5-methyl-4,7-di(propan-2-yl)-2H-benzimidazole (PubChem CID 153129262) has the molecular formula C14H20N2 and a molecular weight of 216.33 g/mol. Its IUPAC name is 5-methyl-4,7-di(propan-2-yl)-2H-benzimidazole.

Molecular Properties

Compound Name5-methyl-4,7-di(propan-2-yl)-2H-benzimidazole
PubChem CID153129262
Molecular FormulaC14H20N2
Molecular Weight216.33 g/mol
Exact Mass216.16
IUPAC Name5-methyl-4,7-di(propan-2-yl)-2H-benzimidazole
SMILESCc1cc(C(C)C)c2c(c1C(C)C)=NCN=2
InChIInChI=1S/C14H20N2/c1-8(2)11-6-10(5)12(9(3)4)14-13(11)15-7-16-14/h6,8-9H,7H2,1-5H3
InChIKeyWBERDRJMQXMKBX-UHFFFAOYSA-N
XLogP2.45
TPSA24.72 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.33
LogP ≤ 52.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

CID 6445873
CID 6445873
2H-1-Pyridine, 5-(1-butenyl)-3,4,6,7-tetrahydro-3-methyl-, hydrochloride, (E)-(+)-
CID 6445872
5-[(E)-but-1-enyl]-3-methyl-3,4,6,7-tetrahydro-2H-cyclopenta[b]pyridine
CID 162980508
4-Butyl-2,2-dimethylbenzimidazole
CID 20537660
1,4-di(propan-2-yl)-6H-cyclopenta[c]pyridine
CID 20621283
4,7-dimethyl-2H-benzimidazole
CID 20812386
(6-Azanidylidene-2-methyl-5-propan-2-ylcyclohexa-2,4-dien-1-ylidene)azanide;uranium(2+)
CID 57722326
4-ethyl-7-methanidyl-2H-benzimidazole;hexakis(yttrium)
CID 57997721
4-ethyl-7-methyl-2H-benzimidazole
CID 57997722
4-methyl-7-(4-methylcyclopenta-1,3-dien-1-yl)-2H-benzimidazole
CID 58019378
4-propan-2-yl-2H-benzimidazole
CID 58101930
4-(2,2-dimethylpropyl)-2H-benzimidazole
CID 58157732

Frequently Asked Questions

What is the IUPAC name of 5-methyl-4,7-di(propan-2-yl)-2H-benzimidazole?
The IUPAC name of 5-methyl-4,7-di(propan-2-yl)-2H-benzimidazole (CID 153129262) is 5-methyl-4,7-di(propan-2-yl)-2H-benzimidazole.
What is the SMILES notation for 5-methyl-4,7-di(propan-2-yl)-2H-benzimidazole?
The canonical SMILES for 5-methyl-4,7-di(propan-2-yl)-2H-benzimidazole is Cc1cc(C(C)C)c2c(c1C(C)C)=NCN=2.
What is the InChIKey of 5-methyl-4,7-di(propan-2-yl)-2H-benzimidazole?
The InChIKey is WBERDRJMQXMKBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2/c1-8(2)11-6-10(5)12(9(3)4)14-13(11)15-7-16-14/h6,8-9H,7H2,1-5H3.
What are the key properties of 5-methyl-4,7-di(propan-2-yl)-2H-benzimidazole?
5-methyl-4,7-di(propan-2-yl)-2H-benzimidazole has a molecular weight of 216.33 g/mol, XLogP of 2.45, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-4,7-di(propan-2-yl)-2H-benzimidazole is sourced from PubChem (CID 153129262), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).