6-ethyl-2-(2-methylbutyl)-1H-benzimidazole

C14H20N2 — CID 114875306

IUPAC6-ethyl-2-(2-methylbutyl)-1H-benzimidazole
SMILESCCc1ccc2nc(CC(C)CC)[nH]c2c1
InChIInChI=1S/C14H20N2/c1-4-10(3)8-14-15-12-7-6-11(5-2)9-13(12)16-14/h6-7,9-10H,4-5,8H2,1-3H3,(H,15,16)
InChIKeyIKNKZHMIKQCSFB-UHFFFAOYSA-N
MW216.33 g/mol
LogP3.71
Rot. Bonds4

About 6-ethyl-2-(2-methylbutyl)-1H-benzimidazole

6-ethyl-2-(2-methylbutyl)-1H-benzimidazole (PubChem CID 114875306) has the molecular formula C14H20N2 and a molecular weight of 216.33 g/mol. Its IUPAC name is 6-ethyl-2-(2-methylbutyl)-1H-benzimidazole.

Molecular Properties

Compound Name6-ethyl-2-(2-methylbutyl)-1H-benzimidazole
PubChem CID114875306
Molecular FormulaC14H20N2
Molecular Weight216.33 g/mol
Exact Mass216.16
IUPAC Name6-ethyl-2-(2-methylbutyl)-1H-benzimidazole
SMILESCCc1ccc2nc(CC(C)CC)[nH]c2c1
InChIInChI=1S/C14H20N2/c1-4-10(3)8-14-15-12-7-6-11(5-2)9-13(12)16-14/h6-7,9-10H,4-5,8H2,1-3H3,(H,15,16)
InChIKeyIKNKZHMIKQCSFB-UHFFFAOYSA-N
XLogP3.71
TPSA28.68 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.33
LogP ≤ 53.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2-(chloromethyl)-6-ethyl-1H-benzimidazole
CID 14096341
N-[2-(6-ethyl-1H-benzimidazol-2-yl)ethyl]-3-methylbutan-1-amine
CID 82337145
N-methyl-1-[2-(2-methylpropyl)-3H-benzimidazol-5-yl]methanamine
CID 84683142
2-(cyclobutylmethyl)-6-ethyl-1H-benzimidazole
CID 103164535
3-(6-ethyl-1H-benzimidazol-2-yl)propanoic acid
CID 79017254
N-[2-(2-ethyl-3H-benzimidazol-5-yl)ethyl]propan-2-amine
CID 96673204
N,N-diethyl-1-(6-ethyl-1H-benzimidazol-2-yl)ethanamine
CID 82336183
4-(6-ethyl-1H-benzimidazol-2-yl)butanoic acid
CID 80502897
N-[(6-ethyl-1H-benzimidazol-2-yl)methyl]-2-methoxy-N-(2-methoxyethyl)ethanamine
CID 82335944
2-[ethyl-[(6-ethyl-1H-benzimidazol-2-yl)methyl]amino]ethanol
CID 82335958
4-[(6-ethyl-1H-benzimidazol-2-yl)methylsulfanyl]butanoic acid
CID 82337190
6-ethyl-2-[1-(4-methylpiperazin-1-yl)ethyl]-1H-benzimidazole
CID 82336181

Frequently Asked Questions

What is the IUPAC name of 6-ethyl-2-(2-methylbutyl)-1H-benzimidazole?
The IUPAC name of 6-ethyl-2-(2-methylbutyl)-1H-benzimidazole (CID 114875306) is 6-ethyl-2-(2-methylbutyl)-1H-benzimidazole.
What is the SMILES notation for 6-ethyl-2-(2-methylbutyl)-1H-benzimidazole?
The canonical SMILES for 6-ethyl-2-(2-methylbutyl)-1H-benzimidazole is CCc1ccc2nc(CC(C)CC)[nH]c2c1.
What is the InChIKey of 6-ethyl-2-(2-methylbutyl)-1H-benzimidazole?
The InChIKey is IKNKZHMIKQCSFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2/c1-4-10(3)8-14-15-12-7-6-11(5-2)9-13(12)16-14/h6-7,9-10H,4-5,8H2,1-3H3,(H,15,16).
What are the key properties of 6-ethyl-2-(2-methylbutyl)-1H-benzimidazole?
6-ethyl-2-(2-methylbutyl)-1H-benzimidazole has a molecular weight of 216.33 g/mol, XLogP of 3.71, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6-ethyl-2-(2-methylbutyl)-1H-benzimidazole is sourced from PubChem (CID 114875306), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).