1-(1-ethylbenzimidazol-2-yl)ethyl N-(2,4-dimethylphenyl)carbamate

C20H23N3O2 — CID 22889576

IUPAC1-(1-ethylbenzimidazol-2-yl)ethyl N-(2,4-dimethylphenyl)carbamate
SMILESCCn1c(C(C)OC(=O)Nc2ccc(C)cc2C)nc2ccccc21
InChIInChI=1S/C20H23N3O2/c1-5-23-18-9-7-6-8-17(18)21-19(23)15(4)25-20(24)22-16-11-10-13(2)12-14(16)3/h6-12,15H,5H2,1-4H3,(H,22,24)
InChIKeyBTKLFJUAMAXMSZ-UHFFFAOYSA-N
MW337.42 g/mol
LogP4.98
Rot. Bonds4

About 1-(1-ethylbenzimidazol-2-yl)ethyl N-(2,4-dimethylphenyl)carbamate

1-(1-ethylbenzimidazol-2-yl)ethyl N-(2,4-dimethylphenyl)carbamate (PubChem CID 22889576) has the molecular formula C20H23N3O2 and a molecular weight of 337.42 g/mol. Its IUPAC name is 1-(1-ethylbenzimidazol-2-yl)ethyl N-(2,4-dimethylphenyl)carbamate.

Molecular Properties

Compound Name1-(1-ethylbenzimidazol-2-yl)ethyl N-(2,4-dimethylphenyl)carbamate
PubChem CID22889576
Molecular FormulaC20H23N3O2
Molecular Weight337.42 g/mol
Exact Mass337.18
IUPAC Name1-(1-ethylbenzimidazol-2-yl)ethyl N-(2,4-dimethylphenyl)carbamate
SMILESCCn1c(C(C)OC(=O)Nc2ccc(C)cc2C)nc2ccccc21
InChIInChI=1S/C20H23N3O2/c1-5-23-18-9-7-6-8-17(18)21-19(23)15(4)25-20(24)22-16-11-10-13(2)12-14(16)3/h6-12,15H,5H2,1-4H3,(H,22,24)
InChIKeyBTKLFJUAMAXMSZ-UHFFFAOYSA-N
XLogP4.98
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.42
LogP ≤ 54.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2-chloro-4-methylphenyl)-2-[2-[(1R)-1-phenoxyethyl]benzimidazol-1-yl]acetamide
CID 40704872
2-(2,4-dimethylphenoxy)-N-[(1-ethylbenzimidazol-2-yl)methyl]acetamide
CID 18116677
3-acetamido-N-[1-(1-ethylbenzimidazol-2-yl)ethyl]-4-methylbenzamide
CID 86858408
1-ethyl-2-(1-phenoxyethyl)benzimidazole
CID 2984876
1-ethyl-2-propan-2-ylbenzimidazole
CID 962427
N-(2,4-dimethylphenyl)-4-[4-[(4-methylphenyl)methyl]-3-oxoquinoxalin-2-yl]piperazine-1-carboxamide
CID 53070136
N-(2,4-dimethylphenyl)-2-[2-[(E)-2-phenylethenyl]benzimidazol-1-yl]acetamide
CID 17031753
ethyl 2-(1-ethylbenzimidazol-2-yl)-4-methylpentanoate
CID 79480772
(S)-(1-ethylbenzimidazol-2-yl)-(4-methylphenyl)methanol
CID 762121
2-ethyl-N-[1-(1-ethylbenzimidazol-2-yl)ethyl]butanamide
CID 16968998
2,4-dimethyl-N-[1-(1-octylbenzimidazol-2-yl)ethyl]benzamide
CID 16967790
N-[1-[1-[2-(dipropylamino)-2-oxoethyl]benzimidazol-2-yl]ethyl]-2,4-dimethylbenzamide
CID 16967909

Frequently Asked Questions

What is the IUPAC name of 1-(1-ethylbenzimidazol-2-yl)ethyl N-(2,4-dimethylphenyl)carbamate?
The IUPAC name of 1-(1-ethylbenzimidazol-2-yl)ethyl N-(2,4-dimethylphenyl)carbamate (CID 22889576) is 1-(1-ethylbenzimidazol-2-yl)ethyl N-(2,4-dimethylphenyl)carbamate.
What is the SMILES notation for 1-(1-ethylbenzimidazol-2-yl)ethyl N-(2,4-dimethylphenyl)carbamate?
The canonical SMILES for 1-(1-ethylbenzimidazol-2-yl)ethyl N-(2,4-dimethylphenyl)carbamate is CCn1c(C(C)OC(=O)Nc2ccc(C)cc2C)nc2ccccc21.
What is the InChIKey of 1-(1-ethylbenzimidazol-2-yl)ethyl N-(2,4-dimethylphenyl)carbamate?
The InChIKey is BTKLFJUAMAXMSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23N3O2/c1-5-23-18-9-7-6-8-17(18)21-19(23)15(4)25-20(24)22-16-11-10-13(2)12-14(16)3/h6-12,15H,5H2,1-4H3,(H,22,24).
What are the key properties of 1-(1-ethylbenzimidazol-2-yl)ethyl N-(2,4-dimethylphenyl)carbamate?
1-(1-ethylbenzimidazol-2-yl)ethyl N-(2,4-dimethylphenyl)carbamate has a molecular weight of 337.42 g/mol, XLogP of 4.98, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-ethylbenzimidazol-2-yl)ethyl N-(2,4-dimethylphenyl)carbamate is sourced from PubChem (CID 22889576), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).