1-ethyl-2-propan-2-ylbenzimidazole

C12H16N2 — CID 962427

IUPAC1-ethyl-2-propan-2-ylbenzimidazole
SMILESCCn1c(C(C)C)nc2ccccc21
InChIInChI=1S/C12H16N2/c1-4-14-11-8-6-5-7-10(11)13-12(14)9(2)3/h5-9H,4H2,1-3H3
InChIKeyKCXAOXBKFGZPSG-UHFFFAOYSA-N
MW188.27 g/mol
LogP3.18
Rot. Bonds2

About 1-ethyl-2-propan-2-ylbenzimidazole

1-ethyl-2-propan-2-ylbenzimidazole (PubChem CID 962427) has the molecular formula C12H16N2 and a molecular weight of 188.27 g/mol. Its IUPAC name is 1-ethyl-2-propan-2-ylbenzimidazole.

Molecular Properties

Compound Name1-ethyl-2-propan-2-ylbenzimidazole
PubChem CID962427
Molecular FormulaC12H16N2
Molecular Weight188.27 g/mol
Exact Mass188.13
IUPAC Name1-ethyl-2-propan-2-ylbenzimidazole
SMILESCCn1c(C(C)C)nc2ccccc21
InChIInChI=1S/C12H16N2/c1-4-14-11-8-6-5-7-10(11)13-12(14)9(2)3/h5-9H,4H2,1-3H3
InChIKeyKCXAOXBKFGZPSG-UHFFFAOYSA-N
XLogP3.18
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.27
LogP ≤ 53.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 1-ethyl-2-propan-2-ylbenzimidazole 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

[(1-ethylbenzimidazol-2-yl)-(trimethyl-λ4-sulfanyl)methyl]-trimethyl-λ4-sulfane
CID 89375402
1-ethyl-2-(1-phenoxyethyl)benzimidazole
CID 2984876
N-ethyl-2-(2-propan-2-ylbenzimidazol-1-yl)acetamide
CID 17028648
1-[2-(2-ethoxyphenoxy)ethyl]-2-propan-2-ylbenzimidazole
CID 16996515
2-ethyl-N-[1-(1-ethylbenzimidazol-2-yl)ethyl]butanamide
CID 16968998
3-(2-propan-2-ylbenzimidazol-1-yl)propanamide
CID 3627686
(S)-(1-ethylbenzimidazol-2-yl)-(4-methylphenyl)methanol
CID 762121
2-propan-2-yl-1-[(4-propoxyphenyl)methyl]benzimidazole
CID 23963358
2-(1-ethylbenzimidazol-2-yl)-3-phenylpropan-1-amine
CID 83976225
2-[2-(2-propan-2-ylbenzimidazol-1-yl)ethoxy]ethanamine
CID 82144555
N-[1-(1-ethylbenzimidazol-2-yl)ethyl]-2-methyl-3-(methylamino)propanamide
CID 119866240
ethyl 2-(1-ethylbenzimidazol-2-yl)-4-methylpentanoate
CID 79480772

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-2-propan-2-ylbenzimidazole?
The IUPAC name of 1-ethyl-2-propan-2-ylbenzimidazole (CID 962427) is 1-ethyl-2-propan-2-ylbenzimidazole.
What is the SMILES notation for 1-ethyl-2-propan-2-ylbenzimidazole?
The canonical SMILES for 1-ethyl-2-propan-2-ylbenzimidazole is CCn1c(C(C)C)nc2ccccc21.
What is the InChIKey of 1-ethyl-2-propan-2-ylbenzimidazole?
The InChIKey is KCXAOXBKFGZPSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N2/c1-4-14-11-8-6-5-7-10(11)13-12(14)9(2)3/h5-9H,4H2,1-3H3.
What are the key properties of 1-ethyl-2-propan-2-ylbenzimidazole?
1-ethyl-2-propan-2-ylbenzimidazole has a molecular weight of 188.27 g/mol, XLogP of 3.18, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-2-propan-2-ylbenzimidazole is sourced from PubChem (CID 962427), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).