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

C22H23N5O3 — CID 89469527

IUPAC(1-methylbenzimidazol-5-yl)methyl N-[1-ethyl-3-(2-methoxyphenyl)pyrazol-5-yl]carbamate
SMILESCCn1nc(-c2ccccc2OC)cc1NC(=O)OCc1ccc2c(c1)ncn2C
InChIInChI=1S/C22H23N5O3/c1-4-27-21(12-17(25-27)16-7-5-6-8-20(16)29-3)24-22(28)30-13-15-9-10-19-18(11-15)23-14-26(19)2/h5-12,14H,4,13H2,1-3H3,(H,24,28)
InChIKeyDPWSYCNLRBMQLG-UHFFFAOYSA-N
MW405.46 g/mol
LogP4.21
Rot. Bonds6

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

(1-methylbenzimidazol-5-yl)methyl N-[1-ethyl-3-(2-methoxyphenyl)pyrazol-5-yl]carbamate (PubChem CID 89469527) has the molecular formula C22H23N5O3 and a molecular weight of 405.46 g/mol. Its IUPAC name is (1-methylbenzimidazol-5-yl)methyl N-[1-ethyl-3-(2-methoxyphenyl)pyrazol-5-yl]carbamate.

Molecular Properties

Compound Name(1-methylbenzimidazol-5-yl)methyl N-[1-ethyl-3-(2-methoxyphenyl)pyrazol-5-yl]carbamate
PubChem CID89469527
Molecular FormulaC22H23N5O3
Molecular Weight405.46 g/mol
Exact Mass405.18
IUPAC Name(1-methylbenzimidazol-5-yl)methyl N-[1-ethyl-3-(2-methoxyphenyl)pyrazol-5-yl]carbamate
SMILESCCn1nc(-c2ccccc2OC)cc1NC(=O)OCc1ccc2c(c1)ncn2C
InChIInChI=1S/C22H23N5O3/c1-4-27-21(12-17(25-27)16-7-5-6-8-20(16)29-3)24-22(28)30-13-15-9-10-19-18(11-15)23-14-26(19)2/h5-12,14H,4,13H2,1-3H3,(H,24,28)
InChIKeyDPWSYCNLRBMQLG-UHFFFAOYSA-N
XLogP4.21
TPSA83.20 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.46
LogP ≤ 54.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of (1-methylbenzimidazol-5-yl)methyl N-[1-ethyl-3-(2-methoxyphenyl)pyrazol-5-yl]carbamate?
The IUPAC name of (1-methylbenzimidazol-5-yl)methyl N-[1-ethyl-3-(2-methoxyphenyl)pyrazol-5-yl]carbamate (CID 89469527) is (1-methylbenzimidazol-5-yl)methyl N-[1-ethyl-3-(2-methoxyphenyl)pyrazol-5-yl]carbamate.
What is the SMILES notation for (1-methylbenzimidazol-5-yl)methyl N-[1-ethyl-3-(2-methoxyphenyl)pyrazol-5-yl]carbamate?
The canonical SMILES for (1-methylbenzimidazol-5-yl)methyl N-[1-ethyl-3-(2-methoxyphenyl)pyrazol-5-yl]carbamate is CCn1nc(-c2ccccc2OC)cc1NC(=O)OCc1ccc2c(c1)ncn2C.
What is the InChIKey of (1-methylbenzimidazol-5-yl)methyl N-[1-ethyl-3-(2-methoxyphenyl)pyrazol-5-yl]carbamate?
The InChIKey is DPWSYCNLRBMQLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23N5O3/c1-4-27-21(12-17(25-27)16-7-5-6-8-20(16)29-3)24-22(28)30-13-15-9-10-19-18(11-15)23-14-26(19)2/h5-12,14H,4,13H2,1-3H3,(H,24,28).
What are the key properties of (1-methylbenzimidazol-5-yl)methyl N-[1-ethyl-3-(2-methoxyphenyl)pyrazol-5-yl]carbamate?
(1-methylbenzimidazol-5-yl)methyl N-[1-ethyl-3-(2-methoxyphenyl)pyrazol-5-yl]carbamate has a molecular weight of 405.46 g/mol, XLogP of 4.21, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (1-methylbenzimidazol-5-yl)methyl N-[1-ethyl-3-(2-methoxyphenyl)pyrazol-5-yl]carbamate is sourced from PubChem (CID 89469527), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).