(1-ethylbenzimidazol-5-yl)methyl N-[3-(2,4-dimethylphenyl)-1-ethylpyrazol-5-yl]carbamate

C24H27N5O2 — CID 89469609

IUPAC(1-ethylbenzimidazol-5-yl)methyl N-[3-(2,4-dimethylphenyl)-1-ethylpyrazol-5-yl]carbamate
SMILESCCn1nc(-c2ccc(C)cc2C)cc1NC(=O)OCc1ccc2c(c1)ncn2CC
InChIInChI=1S/C24H27N5O2/c1-5-28-15-25-21-12-18(8-10-22(21)28)14-31-24(30)26-23-13-20(27-29(23)6-2)19-9-7-16(3)11-17(19)4/h7-13,15H,5-6,14H2,1-4H3,(H,26,30)
InChIKeyUAARYQDYIUPSAG-UHFFFAOYSA-N
MW417.51 g/mol
LogP5.31
Rot. Bonds6

About (1-ethylbenzimidazol-5-yl)methyl N-[3-(2,4-dimethylphenyl)-1-ethylpyrazol-5-yl]carbamate

(1-ethylbenzimidazol-5-yl)methyl N-[3-(2,4-dimethylphenyl)-1-ethylpyrazol-5-yl]carbamate (PubChem CID 89469609) has the molecular formula C24H27N5O2 and a molecular weight of 417.51 g/mol. Its IUPAC name is (1-ethylbenzimidazol-5-yl)methyl N-[3-(2,4-dimethylphenyl)-1-ethylpyrazol-5-yl]carbamate.

Molecular Properties

Compound Name(1-ethylbenzimidazol-5-yl)methyl N-[3-(2,4-dimethylphenyl)-1-ethylpyrazol-5-yl]carbamate
PubChem CID89469609
Molecular FormulaC24H27N5O2
Molecular Weight417.51 g/mol
Exact Mass417.22
IUPAC Name(1-ethylbenzimidazol-5-yl)methyl N-[3-(2,4-dimethylphenyl)-1-ethylpyrazol-5-yl]carbamate
SMILESCCn1nc(-c2ccc(C)cc2C)cc1NC(=O)OCc1ccc2c(c1)ncn2CC
InChIInChI=1S/C24H27N5O2/c1-5-28-15-25-21-12-18(8-10-22(21)28)14-31-24(30)26-23-13-20(27-29(23)6-2)19-9-7-16(3)11-17(19)4/h7-13,15H,5-6,14H2,1-4H3,(H,26,30)
InChIKeyUAARYQDYIUPSAG-UHFFFAOYSA-N
XLogP5.31
TPSA73.97 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500417.51
LogP ≤ 55.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze (1-ethylbenzimidazol-5-yl)methyl N-[3-(2,4-dimethylphenyl)-1-ethylpyrazol-5-yl]carbamate with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (1-ethylbenzimidazol-5-yl)methyl N-[3-(2,4-dimethylphenyl)-1-ethylpyrazol-5-yl]carbamate?
The IUPAC name of (1-ethylbenzimidazol-5-yl)methyl N-[3-(2,4-dimethylphenyl)-1-ethylpyrazol-5-yl]carbamate (CID 89469609) is (1-ethylbenzimidazol-5-yl)methyl N-[3-(2,4-dimethylphenyl)-1-ethylpyrazol-5-yl]carbamate.
What is the SMILES notation for (1-ethylbenzimidazol-5-yl)methyl N-[3-(2,4-dimethylphenyl)-1-ethylpyrazol-5-yl]carbamate?
The canonical SMILES for (1-ethylbenzimidazol-5-yl)methyl N-[3-(2,4-dimethylphenyl)-1-ethylpyrazol-5-yl]carbamate is CCn1nc(-c2ccc(C)cc2C)cc1NC(=O)OCc1ccc2c(c1)ncn2CC.
What is the InChIKey of (1-ethylbenzimidazol-5-yl)methyl N-[3-(2,4-dimethylphenyl)-1-ethylpyrazol-5-yl]carbamate?
The InChIKey is UAARYQDYIUPSAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H27N5O2/c1-5-28-15-25-21-12-18(8-10-22(21)28)14-31-24(30)26-23-13-20(27-29(23)6-2)19-9-7-16(3)11-17(19)4/h7-13,15H,5-6,14H2,1-4H3,(H,26,30).
What are the key properties of (1-ethylbenzimidazol-5-yl)methyl N-[3-(2,4-dimethylphenyl)-1-ethylpyrazol-5-yl]carbamate?
(1-ethylbenzimidazol-5-yl)methyl N-[3-(2,4-dimethylphenyl)-1-ethylpyrazol-5-yl]carbamate has a molecular weight of 417.51 g/mol, XLogP of 5.31, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (1-ethylbenzimidazol-5-yl)methyl N-[3-(2,4-dimethylphenyl)-1-ethylpyrazol-5-yl]carbamate is sourced from PubChem (CID 89469609), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).