(1,2-dimethylbenzimidazol-5-yl)methyl N-[1-methyl-3-(2-methylphenyl)pyrazol-5-yl]carbamate

C22H23N5O2 — CID 89469406

IUPAC(1,2-dimethylbenzimidazol-5-yl)methyl N-[1-methyl-3-(2-methylphenyl)pyrazol-5-yl]carbamate
SMILESCc1ccccc1-c1cc(NC(=O)OCc2ccc3c(c2)nc(C)n3C)n(C)n1
InChIInChI=1S/C22H23N5O2/c1-14-7-5-6-8-17(14)18-12-21(27(4)25-18)24-22(28)29-13-16-9-10-20-19(11-16)23-15(2)26(20)3/h5-12H,13H2,1-4H3,(H,24,28)
InChIKeyPOQAHXPAXDEPTF-UHFFFAOYSA-N
MW389.46 g/mol
LogP4.34
Rot. Bonds4

About (1,2-dimethylbenzimidazol-5-yl)methyl N-[1-methyl-3-(2-methylphenyl)pyrazol-5-yl]carbamate

(1,2-dimethylbenzimidazol-5-yl)methyl N-[1-methyl-3-(2-methylphenyl)pyrazol-5-yl]carbamate (PubChem CID 89469406) has the molecular formula C22H23N5O2 and a molecular weight of 389.46 g/mol. Its IUPAC name is (1,2-dimethylbenzimidazol-5-yl)methyl N-[1-methyl-3-(2-methylphenyl)pyrazol-5-yl]carbamate.

Molecular Properties

Compound Name(1,2-dimethylbenzimidazol-5-yl)methyl N-[1-methyl-3-(2-methylphenyl)pyrazol-5-yl]carbamate
PubChem CID89469406
Molecular FormulaC22H23N5O2
Molecular Weight389.46 g/mol
Exact Mass389.19
IUPAC Name(1,2-dimethylbenzimidazol-5-yl)methyl N-[1-methyl-3-(2-methylphenyl)pyrazol-5-yl]carbamate
SMILESCc1ccccc1-c1cc(NC(=O)OCc2ccc3c(c2)nc(C)n3C)n(C)n1
InChIInChI=1S/C22H23N5O2/c1-14-7-5-6-8-17(14)18-12-21(27(4)25-18)24-22(28)29-13-16-9-10-20-19(11-16)23-15(2)26(20)3/h5-12H,13H2,1-4H3,(H,24,28)
InChIKeyPOQAHXPAXDEPTF-UHFFFAOYSA-N
XLogP4.34
TPSA73.97 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.46
LogP ≤ 54.34
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-[1-methyl-3-(2-methylphenyl)pyrazol-5-yl]carbamate?
The IUPAC name of (1,2-dimethylbenzimidazol-5-yl)methyl N-[1-methyl-3-(2-methylphenyl)pyrazol-5-yl]carbamate (CID 89469406) is (1,2-dimethylbenzimidazol-5-yl)methyl N-[1-methyl-3-(2-methylphenyl)pyrazol-5-yl]carbamate.
What is the SMILES notation for (1,2-dimethylbenzimidazol-5-yl)methyl N-[1-methyl-3-(2-methylphenyl)pyrazol-5-yl]carbamate?
The canonical SMILES for (1,2-dimethylbenzimidazol-5-yl)methyl N-[1-methyl-3-(2-methylphenyl)pyrazol-5-yl]carbamate is Cc1ccccc1-c1cc(NC(=O)OCc2ccc3c(c2)nc(C)n3C)n(C)n1.
What is the InChIKey of (1,2-dimethylbenzimidazol-5-yl)methyl N-[1-methyl-3-(2-methylphenyl)pyrazol-5-yl]carbamate?
The InChIKey is POQAHXPAXDEPTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23N5O2/c1-14-7-5-6-8-17(14)18-12-21(27(4)25-18)24-22(28)29-13-16-9-10-20-19(11-16)23-15(2)26(20)3/h5-12H,13H2,1-4H3,(H,24,28).
What are the key properties of (1,2-dimethylbenzimidazol-5-yl)methyl N-[1-methyl-3-(2-methylphenyl)pyrazol-5-yl]carbamate?
(1,2-dimethylbenzimidazol-5-yl)methyl N-[1-methyl-3-(2-methylphenyl)pyrazol-5-yl]carbamate has a molecular weight of 389.46 g/mol, XLogP of 4.34, 4 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-[1-methyl-3-(2-methylphenyl)pyrazol-5-yl]carbamate is sourced from PubChem (CID 89469406), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).