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

C24H27N5O2 — CID 89469405

IUPAC(1,2-dimethylbenzimidazol-5-yl)methyl N-[3-(2,4-dimethylphenyl)-1-ethylpyrazol-5-yl]carbamate
SMILESCCn1nc(-c2ccc(C)cc2C)cc1NC(=O)OCc1ccc2c(c1)nc(C)n2C
InChIInChI=1S/C24H27N5O2/c1-6-29-23(13-20(27-29)19-9-7-15(2)11-16(19)3)26-24(30)31-14-18-8-10-22-21(12-18)25-17(4)28(22)5/h7-13H,6,14H2,1-5H3,(H,26,30)
InChIKeyRIIQGQDSBRPXCF-UHFFFAOYSA-N
MW417.51 g/mol
LogP5.13
Rot. Bonds5

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

(1,2-dimethylbenzimidazol-5-yl)methyl N-[3-(2,4-dimethylphenyl)-1-ethylpyrazol-5-yl]carbamate (PubChem CID 89469405) has the molecular formula C24H27N5O2 and a molecular weight of 417.51 g/mol. Its IUPAC name is (1,2-dimethylbenzimidazol-5-yl)methyl N-[3-(2,4-dimethylphenyl)-1-ethylpyrazol-5-yl]carbamate.

Molecular Properties

Compound Name(1,2-dimethylbenzimidazol-5-yl)methyl N-[3-(2,4-dimethylphenyl)-1-ethylpyrazol-5-yl]carbamate
PubChem CID89469405
Molecular FormulaC24H27N5O2
Molecular Weight417.51 g/mol
Exact Mass417.22
IUPAC Name(1,2-dimethylbenzimidazol-5-yl)methyl N-[3-(2,4-dimethylphenyl)-1-ethylpyrazol-5-yl]carbamate
SMILESCCn1nc(-c2ccc(C)cc2C)cc1NC(=O)OCc1ccc2c(c1)nc(C)n2C
InChIInChI=1S/C24H27N5O2/c1-6-29-23(13-20(27-29)19-9-7-15(2)11-16(19)3)26-24(30)31-14-18-8-10-22-21(12-18)25-17(4)28(22)5/h7-13H,6,14H2,1-5H3,(H,26,30)
InChIKeyRIIQGQDSBRPXCF-UHFFFAOYSA-N
XLogP5.13
TPSA73.97 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500417.51
LogP ≤ 55.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of (1,2-dimethylbenzimidazol-5-yl)methyl N-[3-(2,4-dimethylphenyl)-1-ethylpyrazol-5-yl]carbamate?
The IUPAC name of (1,2-dimethylbenzimidazol-5-yl)methyl N-[3-(2,4-dimethylphenyl)-1-ethylpyrazol-5-yl]carbamate (CID 89469405) is (1,2-dimethylbenzimidazol-5-yl)methyl N-[3-(2,4-dimethylphenyl)-1-ethylpyrazol-5-yl]carbamate.
What is the SMILES notation for (1,2-dimethylbenzimidazol-5-yl)methyl N-[3-(2,4-dimethylphenyl)-1-ethylpyrazol-5-yl]carbamate?
The canonical SMILES for (1,2-dimethylbenzimidazol-5-yl)methyl N-[3-(2,4-dimethylphenyl)-1-ethylpyrazol-5-yl]carbamate is CCn1nc(-c2ccc(C)cc2C)cc1NC(=O)OCc1ccc2c(c1)nc(C)n2C.
What is the InChIKey of (1,2-dimethylbenzimidazol-5-yl)methyl N-[3-(2,4-dimethylphenyl)-1-ethylpyrazol-5-yl]carbamate?
The InChIKey is RIIQGQDSBRPXCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H27N5O2/c1-6-29-23(13-20(27-29)19-9-7-15(2)11-16(19)3)26-24(30)31-14-18-8-10-22-21(12-18)25-17(4)28(22)5/h7-13H,6,14H2,1-5H3,(H,26,30).
What are the key properties of (1,2-dimethylbenzimidazol-5-yl)methyl N-[3-(2,4-dimethylphenyl)-1-ethylpyrazol-5-yl]carbamate?
(1,2-dimethylbenzimidazol-5-yl)methyl N-[3-(2,4-dimethylphenyl)-1-ethylpyrazol-5-yl]carbamate has a molecular weight of 417.51 g/mol, XLogP of 5.13, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (1,2-dimethylbenzimidazol-5-yl)methyl N-[3-(2,4-dimethylphenyl)-1-ethylpyrazol-5-yl]carbamate is sourced from PubChem (CID 89469405), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).