ethane;2,4,5-trimethyl-1H-benzimidazole

C14H24N2 — CID 142026179

IUPACethane;2,4,5-trimethyl-1H-benzimidazole
SMILESCC.CC.Cc1nc2c(C)c(C)ccc2[nH]1
InChIInChI=1S/C10H12N2.2C2H6/c1-6-4-5-9-10(7(6)2)12-8(3)11-9;2*1-2/h4-5H,1-3H3,(H,11,12);2*1-2H3
InChIKeyKURXXCXXHJGDSU-UHFFFAOYSA-N
MW220.36 g/mol
LogP4.54
Rot. Bonds

About ethane;2,4,5-trimethyl-1H-benzimidazole

ethane;2,4,5-trimethyl-1H-benzimidazole (PubChem CID 142026179) has the molecular formula C14H24N2 and a molecular weight of 220.36 g/mol. Its IUPAC name is ethane;2,4,5-trimethyl-1H-benzimidazole.

Molecular Properties

Compound Nameethane;2,4,5-trimethyl-1H-benzimidazole
PubChem CID142026179
Molecular FormulaC14H24N2
Molecular Weight220.36 g/mol
Exact Mass220.19
IUPAC Nameethane;2,4,5-trimethyl-1H-benzimidazole
SMILESCC.CC.Cc1nc2c(C)c(C)ccc2[nH]1
InChIInChI=1S/C10H12N2.2C2H6/c1-6-4-5-9-10(7(6)2)12-8(3)11-9;2*1-2/h4-5H,1-3H3,(H,11,12);2*1-2H3
InChIKeyKURXXCXXHJGDSU-UHFFFAOYSA-N
XLogP4.54
TPSA28.68 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.36
LogP ≤ 54.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze ethane;2,4,5-trimethyl-1H-benzimidazole with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2,5-dimethyl-4-propan-2-yl-1H-benzimidazole
CID 164840033
2-[3-(4,5-dimethyl-1H-benzimidazol-2-yl)pentan-3-yl]-4,5-dimethyl-1H-benzimidazole
CID 150245168
4-butyl-2,5-dimethyl-1H-benzimidazole
CID 174213489
1-(4,5-dimethyl-1H-benzimidazol-2-yl)-N-methylmethanamine
CID 84618784
4,5-dimethyl-2-octyl-1H-benzimidazole
CID 54123054
4,5-dimethyl-2-(4-methylpiperazin-1-yl)-1H-benzimidazole
CID 70082198
2-methyl-3,6,7,8-tetrahydrocyclopenta[e]benzimidazole
CID 89393478
4,5-dimethyl-2-thiophen-3-yl-1H-benzimidazole
CID 2799872
5-amino-2-methyl-1H-benzimidazol-4-ol
CID 68501476
2-methyl-3H-furo[2,3-e]benzimidazole
CID 89393490
(2Z)-2-(4,5-dimethyl-1H-benzimidazol-2-yl)-2-hydroxyiminoacetonitrile
CID 137304171
4,5-dimethyl-2-pyrrolidin-2-yl-1H-benzimidazole
CID 25219064

Frequently Asked Questions

What is the IUPAC name of ethane;2,4,5-trimethyl-1H-benzimidazole?
The IUPAC name of ethane;2,4,5-trimethyl-1H-benzimidazole (CID 142026179) is ethane;2,4,5-trimethyl-1H-benzimidazole.
What is the SMILES notation for ethane;2,4,5-trimethyl-1H-benzimidazole?
The canonical SMILES for ethane;2,4,5-trimethyl-1H-benzimidazole is CC.CC.Cc1nc2c(C)c(C)ccc2[nH]1.
What is the InChIKey of ethane;2,4,5-trimethyl-1H-benzimidazole?
The InChIKey is KURXXCXXHJGDSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12N2.2C2H6/c1-6-4-5-9-10(7(6)2)12-8(3)11-9;2*1-2/h4-5H,1-3H3,(H,11,12);2*1-2H3.
What are the key properties of ethane;2,4,5-trimethyl-1H-benzimidazole?
ethane;2,4,5-trimethyl-1H-benzimidazole has a molecular weight of 220.36 g/mol, XLogP of 4.54, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;2,4,5-trimethyl-1H-benzimidazole is sourced from PubChem (CID 142026179), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).