(1-ethylbenzimidazol-5-yl)methyl N-[1-ethyl-3-(2-methoxyphenyl)pyrazol-5-yl]carbamate

C23H25N5O3 — CID 89469600

IUPAC(1-ethylbenzimidazol-5-yl)methyl N-[1-ethyl-3-(2-methoxyphenyl)pyrazol-5-yl]carbamate
SMILESCCn1nc(-c2ccccc2OC)cc1NC(=O)OCc1ccc2c(c1)ncn2CC
InChIInChI=1S/C23H25N5O3/c1-4-27-15-24-19-12-16(10-11-20(19)27)14-31-23(29)25-22-13-18(26-28(22)5-2)17-8-6-7-9-21(17)30-3/h6-13,15H,4-5,14H2,1-3H3,(H,25,29)
InChIKeyIXROUUXXBLSKNA-UHFFFAOYSA-N
MW419.49 g/mol
LogP4.70
Rot. Bonds7

About (1-ethylbenzimidazol-5-yl)methyl N-[1-ethyl-3-(2-methoxyphenyl)pyrazol-5-yl]carbamate

(1-ethylbenzimidazol-5-yl)methyl N-[1-ethyl-3-(2-methoxyphenyl)pyrazol-5-yl]carbamate (PubChem CID 89469600) has the molecular formula C23H25N5O3 and a molecular weight of 419.49 g/mol. Its IUPAC name is (1-ethylbenzimidazol-5-yl)methyl N-[1-ethyl-3-(2-methoxyphenyl)pyrazol-5-yl]carbamate.

Molecular Properties

Compound Name(1-ethylbenzimidazol-5-yl)methyl N-[1-ethyl-3-(2-methoxyphenyl)pyrazol-5-yl]carbamate
PubChem CID89469600
Molecular FormulaC23H25N5O3
Molecular Weight419.49 g/mol
Exact Mass419.20
IUPAC Name(1-ethylbenzimidazol-5-yl)methyl N-[1-ethyl-3-(2-methoxyphenyl)pyrazol-5-yl]carbamate
SMILESCCn1nc(-c2ccccc2OC)cc1NC(=O)OCc1ccc2c(c1)ncn2CC
InChIInChI=1S/C23H25N5O3/c1-4-27-15-24-19-12-16(10-11-20(19)27)14-31-23(29)25-22-13-18(26-28(22)5-2)17-8-6-7-9-21(17)30-3/h6-13,15H,4-5,14H2,1-3H3,(H,25,29)
InChIKeyIXROUUXXBLSKNA-UHFFFAOYSA-N
XLogP4.70
TPSA83.20 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500419.49
LogP ≤ 54.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of (1-ethylbenzimidazol-5-yl)methyl N-[1-ethyl-3-(2-methoxyphenyl)pyrazol-5-yl]carbamate?
The IUPAC name of (1-ethylbenzimidazol-5-yl)methyl N-[1-ethyl-3-(2-methoxyphenyl)pyrazol-5-yl]carbamate (CID 89469600) is (1-ethylbenzimidazol-5-yl)methyl N-[1-ethyl-3-(2-methoxyphenyl)pyrazol-5-yl]carbamate.
What is the SMILES notation for (1-ethylbenzimidazol-5-yl)methyl N-[1-ethyl-3-(2-methoxyphenyl)pyrazol-5-yl]carbamate?
The canonical SMILES for (1-ethylbenzimidazol-5-yl)methyl N-[1-ethyl-3-(2-methoxyphenyl)pyrazol-5-yl]carbamate is CCn1nc(-c2ccccc2OC)cc1NC(=O)OCc1ccc2c(c1)ncn2CC.
What is the InChIKey of (1-ethylbenzimidazol-5-yl)methyl N-[1-ethyl-3-(2-methoxyphenyl)pyrazol-5-yl]carbamate?
The InChIKey is IXROUUXXBLSKNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25N5O3/c1-4-27-15-24-19-12-16(10-11-20(19)27)14-31-23(29)25-22-13-18(26-28(22)5-2)17-8-6-7-9-21(17)30-3/h6-13,15H,4-5,14H2,1-3H3,(H,25,29).
What are the key properties of (1-ethylbenzimidazol-5-yl)methyl N-[1-ethyl-3-(2-methoxyphenyl)pyrazol-5-yl]carbamate?
(1-ethylbenzimidazol-5-yl)methyl N-[1-ethyl-3-(2-methoxyphenyl)pyrazol-5-yl]carbamate has a molecular weight of 419.49 g/mol, XLogP of 4.70, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (1-ethylbenzimidazol-5-yl)methyl N-[1-ethyl-3-(2-methoxyphenyl)pyrazol-5-yl]carbamate is sourced from PubChem (CID 89469600), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).