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

C23H25N5O2 — CID 89469425

IUPAC1-(1-methylbenzimidazol-5-yl)ethyl N-[3-(2,4-dimethylphenyl)-1-methylpyrazol-5-yl]carbamate
SMILESCc1ccc(-c2cc(NC(=O)OC(C)c3ccc4c(c3)ncn4C)n(C)n2)c(C)c1
InChIInChI=1S/C23H25N5O2/c1-14-6-8-18(15(2)10-14)19-12-22(28(5)26-19)25-23(29)30-16(3)17-7-9-21-20(11-17)24-13-27(21)4/h6-13,16H,1-5H3,(H,25,29)
InChIKeyLMXGWMAUGLGZSW-UHFFFAOYSA-N
MW403.49 g/mol
LogP4.90
Rot. Bonds4

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

1-(1-methylbenzimidazol-5-yl)ethyl N-[3-(2,4-dimethylphenyl)-1-methylpyrazol-5-yl]carbamate (PubChem CID 89469425) has the molecular formula C23H25N5O2 and a molecular weight of 403.49 g/mol. Its IUPAC name is 1-(1-methylbenzimidazol-5-yl)ethyl N-[3-(2,4-dimethylphenyl)-1-methylpyrazol-5-yl]carbamate.

Molecular Properties

Compound Name1-(1-methylbenzimidazol-5-yl)ethyl N-[3-(2,4-dimethylphenyl)-1-methylpyrazol-5-yl]carbamate
PubChem CID89469425
Molecular FormulaC23H25N5O2
Molecular Weight403.49 g/mol
Exact Mass403.20
IUPAC Name1-(1-methylbenzimidazol-5-yl)ethyl N-[3-(2,4-dimethylphenyl)-1-methylpyrazol-5-yl]carbamate
SMILESCc1ccc(-c2cc(NC(=O)OC(C)c3ccc4c(c3)ncn4C)n(C)n2)c(C)c1
InChIInChI=1S/C23H25N5O2/c1-14-6-8-18(15(2)10-14)19-12-22(28(5)26-19)25-23(29)30-16(3)17-7-9-21-20(11-17)24-13-27(21)4/h6-13,16H,1-5H3,(H,25,29)
InChIKeyLMXGWMAUGLGZSW-UHFFFAOYSA-N
XLogP4.90
TPSA73.97 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.49
LogP ≤ 54.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-(1-methylbenzimidazol-5-yl)ethyl N-[3-(2,4-dimethylphenyl)-1-methylpyrazol-5-yl]carbamate?
The IUPAC name of 1-(1-methylbenzimidazol-5-yl)ethyl N-[3-(2,4-dimethylphenyl)-1-methylpyrazol-5-yl]carbamate (CID 89469425) is 1-(1-methylbenzimidazol-5-yl)ethyl N-[3-(2,4-dimethylphenyl)-1-methylpyrazol-5-yl]carbamate.
What is the SMILES notation for 1-(1-methylbenzimidazol-5-yl)ethyl N-[3-(2,4-dimethylphenyl)-1-methylpyrazol-5-yl]carbamate?
The canonical SMILES for 1-(1-methylbenzimidazol-5-yl)ethyl N-[3-(2,4-dimethylphenyl)-1-methylpyrazol-5-yl]carbamate is Cc1ccc(-c2cc(NC(=O)OC(C)c3ccc4c(c3)ncn4C)n(C)n2)c(C)c1.
What is the InChIKey of 1-(1-methylbenzimidazol-5-yl)ethyl N-[3-(2,4-dimethylphenyl)-1-methylpyrazol-5-yl]carbamate?
The InChIKey is LMXGWMAUGLGZSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25N5O2/c1-14-6-8-18(15(2)10-14)19-12-22(28(5)26-19)25-23(29)30-16(3)17-7-9-21-20(11-17)24-13-27(21)4/h6-13,16H,1-5H3,(H,25,29).
What are the key properties of 1-(1-methylbenzimidazol-5-yl)ethyl N-[3-(2,4-dimethylphenyl)-1-methylpyrazol-5-yl]carbamate?
1-(1-methylbenzimidazol-5-yl)ethyl N-[3-(2,4-dimethylphenyl)-1-methylpyrazol-5-yl]carbamate has a molecular weight of 403.49 g/mol, XLogP of 4.90, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-methylbenzimidazol-5-yl)ethyl N-[3-(2,4-dimethylphenyl)-1-methylpyrazol-5-yl]carbamate is sourced from PubChem (CID 89469425), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).