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

C23H25N5O2 — CID 89469525

IUPAC(1-methylbenzimidazol-5-yl)methyl N-[3-(2,4-dimethylphenyl)-1-ethylpyrazol-5-yl]carbamate
SMILESCCn1nc(-c2ccc(C)cc2C)cc1NC(=O)OCc1ccc2c(c1)ncn2C
InChIInChI=1S/C23H25N5O2/c1-5-28-22(12-19(26-28)18-8-6-15(2)10-16(18)3)25-23(29)30-13-17-7-9-21-20(11-17)24-14-27(21)4/h6-12,14H,5,13H2,1-4H3,(H,25,29)
InChIKeyYCSPCNJNSUYVBP-UHFFFAOYSA-N
MW403.49 g/mol
LogP4.82
Rot. Bonds5

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

(1-methylbenzimidazol-5-yl)methyl N-[3-(2,4-dimethylphenyl)-1-ethylpyrazol-5-yl]carbamate (PubChem CID 89469525) has the molecular formula C23H25N5O2 and a molecular weight of 403.49 g/mol. Its IUPAC name is (1-methylbenzimidazol-5-yl)methyl N-[3-(2,4-dimethylphenyl)-1-ethylpyrazol-5-yl]carbamate.

Molecular Properties

Compound Name(1-methylbenzimidazol-5-yl)methyl N-[3-(2,4-dimethylphenyl)-1-ethylpyrazol-5-yl]carbamate
PubChem CID89469525
Molecular FormulaC23H25N5O2
Molecular Weight403.49 g/mol
Exact Mass403.20
IUPAC Name(1-methylbenzimidazol-5-yl)methyl N-[3-(2,4-dimethylphenyl)-1-ethylpyrazol-5-yl]carbamate
SMILESCCn1nc(-c2ccc(C)cc2C)cc1NC(=O)OCc1ccc2c(c1)ncn2C
InChIInChI=1S/C23H25N5O2/c1-5-28-22(12-19(26-28)18-8-6-15(2)10-16(18)3)25-23(29)30-13-17-7-9-21-20(11-17)24-14-27(21)4/h6-12,14H,5,13H2,1-4H3,(H,25,29)
InChIKeyYCSPCNJNSUYVBP-UHFFFAOYSA-N
XLogP4.82
TPSA73.97 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.49
LogP ≤ 54.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of (1-methylbenzimidazol-5-yl)methyl N-[3-(2,4-dimethylphenyl)-1-ethylpyrazol-5-yl]carbamate?
The IUPAC name of (1-methylbenzimidazol-5-yl)methyl N-[3-(2,4-dimethylphenyl)-1-ethylpyrazol-5-yl]carbamate (CID 89469525) is (1-methylbenzimidazol-5-yl)methyl N-[3-(2,4-dimethylphenyl)-1-ethylpyrazol-5-yl]carbamate.
What is the SMILES notation for (1-methylbenzimidazol-5-yl)methyl N-[3-(2,4-dimethylphenyl)-1-ethylpyrazol-5-yl]carbamate?
The canonical SMILES for (1-methylbenzimidazol-5-yl)methyl N-[3-(2,4-dimethylphenyl)-1-ethylpyrazol-5-yl]carbamate is CCn1nc(-c2ccc(C)cc2C)cc1NC(=O)OCc1ccc2c(c1)ncn2C.
What is the InChIKey of (1-methylbenzimidazol-5-yl)methyl N-[3-(2,4-dimethylphenyl)-1-ethylpyrazol-5-yl]carbamate?
The InChIKey is YCSPCNJNSUYVBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25N5O2/c1-5-28-22(12-19(26-28)18-8-6-15(2)10-16(18)3)25-23(29)30-13-17-7-9-21-20(11-17)24-14-27(21)4/h6-12,14H,5,13H2,1-4H3,(H,25,29).
What are the key properties of (1-methylbenzimidazol-5-yl)methyl N-[3-(2,4-dimethylphenyl)-1-ethylpyrazol-5-yl]carbamate?
(1-methylbenzimidazol-5-yl)methyl N-[3-(2,4-dimethylphenyl)-1-ethylpyrazol-5-yl]carbamate has a molecular weight of 403.49 g/mol, XLogP of 4.82, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (1-methylbenzimidazol-5-yl)methyl N-[3-(2,4-dimethylphenyl)-1-ethylpyrazol-5-yl]carbamate is sourced from PubChem (CID 89469525), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).