3-[(2-ethylbenzimidazol-1-yl)methyl]-5-[(1R,2S)-2-methylcyclopropyl]-1,2,4-oxadiazole

C16H18N4O — CID 100695399

IUPAC3-[(2-ethylbenzimidazol-1-yl)methyl]-5-[(1R,2S)-2-methylcyclopropyl]-1,2,4-oxadiazole
SMILESCCc1nc2ccccc2n1Cc1noc([C@@H]2C[C@@H]2C)n1
InChIInChI=1S/C16H18N4O/c1-3-15-17-12-6-4-5-7-13(12)20(15)9-14-18-16(21-19-14)11-8-10(11)2/h4-7,10-11H,3,8-9H2,1-2H3/t10-,11+/m0/s1
InChIKeyJHHLEQZDLBJMPV-WDEREUQCSA-N
MW282.35 g/mol
LogP3.15
Rot. Bonds4

About 3-[(2-ethylbenzimidazol-1-yl)methyl]-5-[(1R,2S)-2-methylcyclopropyl]-1,2,4-oxadiazole

3-[(2-ethylbenzimidazol-1-yl)methyl]-5-[(1R,2S)-2-methylcyclopropyl]-1,2,4-oxadiazole (PubChem CID 100695399) has the molecular formula C16H18N4O and a molecular weight of 282.35 g/mol. Its IUPAC name is 3-[(2-ethylbenzimidazol-1-yl)methyl]-5-[(1R,2S)-2-methylcyclopropyl]-1,2,4-oxadiazole.

Molecular Properties

Compound Name3-[(2-ethylbenzimidazol-1-yl)methyl]-5-[(1R,2S)-2-methylcyclopropyl]-1,2,4-oxadiazole
PubChem CID100695399
Molecular FormulaC16H18N4O
Molecular Weight282.35 g/mol
Exact Mass282.15
IUPAC Name3-[(2-ethylbenzimidazol-1-yl)methyl]-5-[(1R,2S)-2-methylcyclopropyl]-1,2,4-oxadiazole
SMILESCCc1nc2ccccc2n1Cc1noc([C@@H]2C[C@@H]2C)n1
InChIInChI=1S/C16H18N4O/c1-3-15-17-12-6-4-5-7-13(12)20(15)9-14-18-16(21-19-14)11-8-10(11)2/h4-7,10-11H,3,8-9H2,1-2H3/t10-,11+/m0/s1
InChIKeyJHHLEQZDLBJMPV-WDEREUQCSA-N
XLogP3.15
TPSA56.74 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.35
LogP ≤ 53.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 3-[(2-ethylbenzimidazol-1-yl)methyl]-5-[(1R,2S)-2-methylcyclopropyl]-1,2,4-oxadiazole with MolForge

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Related Compounds

3-[(2-ethylbenzimidazol-1-yl)methyl]-5-[(1R,2R)-2-methylcyclopropyl]-1,2,4-oxadiazole
CID 100695418
5-propyl-3-[(2-propylbenzimidazol-1-yl)methyl]-1,2,4-oxadiazole
CID 115591565
5-propan-2-yl-3-[(2-propylbenzimidazol-1-yl)methyl]-1,2,4-oxadiazole
CID 115590553
1-[(4-bromothiophen-2-yl)methyl]-2-ethylbenzimidazole
CID 63106530
2-propyl-1-(pyrimidin-2-ylmethyl)benzimidazole
CID 116626997
2-ethyl-1-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]benzimidazol-5-amine
CID 106408016
N-ethyl-N-[(2-ethylbenzimidazol-1-yl)methyl]ethanamine
CID 54753686
1-(2-bicyclo[2.2.1]heptanylmethyl)-2-ethylbenzimidazole
CID 116622454
1-[(2,5-dimethylphenyl)methyl]-2-ethylbenzimidazole
CID 962442
(2S)-1-(2-ethylbenzimidazol-1-yl)propan-2-ol
CID 51975802
1-(3,3-dimethylbutyl)-2-ethylbenzimidazole
CID 115582370
2-(2-ethylbenzimidazol-1-yl)-N-methylethanamine
CID 53211283

Frequently Asked Questions

What is the IUPAC name of 3-[(2-ethylbenzimidazol-1-yl)methyl]-5-[(1R,2S)-2-methylcyclopropyl]-1,2,4-oxadiazole?
The IUPAC name of 3-[(2-ethylbenzimidazol-1-yl)methyl]-5-[(1R,2S)-2-methylcyclopropyl]-1,2,4-oxadiazole (CID 100695399) is 3-[(2-ethylbenzimidazol-1-yl)methyl]-5-[(1R,2S)-2-methylcyclopropyl]-1,2,4-oxadiazole.
What is the SMILES notation for 3-[(2-ethylbenzimidazol-1-yl)methyl]-5-[(1R,2S)-2-methylcyclopropyl]-1,2,4-oxadiazole?
The canonical SMILES for 3-[(2-ethylbenzimidazol-1-yl)methyl]-5-[(1R,2S)-2-methylcyclopropyl]-1,2,4-oxadiazole is CCc1nc2ccccc2n1Cc1noc([C@@H]2C[C@@H]2C)n1.
What is the InChIKey of 3-[(2-ethylbenzimidazol-1-yl)methyl]-5-[(1R,2S)-2-methylcyclopropyl]-1,2,4-oxadiazole?
The InChIKey is JHHLEQZDLBJMPV-WDEREUQCSA-N. The full InChI is InChI=1S/C16H18N4O/c1-3-15-17-12-6-4-5-7-13(12)20(15)9-14-18-16(21-19-14)11-8-10(11)2/h4-7,10-11H,3,8-9H2,1-2H3/t10-,11+/m0/s1.
What are the key properties of 3-[(2-ethylbenzimidazol-1-yl)methyl]-5-[(1R,2S)-2-methylcyclopropyl]-1,2,4-oxadiazole?
3-[(2-ethylbenzimidazol-1-yl)methyl]-5-[(1R,2S)-2-methylcyclopropyl]-1,2,4-oxadiazole has a molecular weight of 282.35 g/mol, XLogP of 3.15, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2-ethylbenzimidazol-1-yl)methyl]-5-[(1R,2S)-2-methylcyclopropyl]-1,2,4-oxadiazole is sourced from PubChem (CID 100695399), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).