(1-methylbenzimidazol-5-yl)methyl N-(2-methyl-4H-indeno[1,2-c]pyrazol-3-yl)carbamate

C21H19N5O2 — CID 89469631

IUPAC(1-methylbenzimidazol-5-yl)methyl N-(2-methyl-4H-indeno[1,2-c]pyrazol-3-yl)carbamate
SMILESCn1nc2c(c1NC(=O)OCc1ccc3c(c1)ncn3C)Cc1ccccc1-2
InChIInChI=1S/C21H19N5O2/c1-25-12-22-17-9-13(7-8-18(17)25)11-28-21(27)23-20-16-10-14-5-3-4-6-15(14)19(16)24-26(20)2/h3-9,12H,10-11H2,1-2H3,(H,23,27)
InChIKeyPBNUYHGJGITXOX-UHFFFAOYSA-N
MW373.42 g/mol
LogP3.63
Rot. Bonds3

About (1-methylbenzimidazol-5-yl)methyl N-(2-methyl-4H-indeno[1,2-c]pyrazol-3-yl)carbamate

(1-methylbenzimidazol-5-yl)methyl N-(2-methyl-4H-indeno[1,2-c]pyrazol-3-yl)carbamate (PubChem CID 89469631) has the molecular formula C21H19N5O2 and a molecular weight of 373.42 g/mol. Its IUPAC name is (1-methylbenzimidazol-5-yl)methyl N-(2-methyl-4H-indeno[1,2-c]pyrazol-3-yl)carbamate.

Molecular Properties

Compound Name(1-methylbenzimidazol-5-yl)methyl N-(2-methyl-4H-indeno[1,2-c]pyrazol-3-yl)carbamate
PubChem CID89469631
Molecular FormulaC21H19N5O2
Molecular Weight373.42 g/mol
Exact Mass373.15
IUPAC Name(1-methylbenzimidazol-5-yl)methyl N-(2-methyl-4H-indeno[1,2-c]pyrazol-3-yl)carbamate
SMILESCn1nc2c(c1NC(=O)OCc1ccc3c(c1)ncn3C)Cc1ccccc1-2
InChIInChI=1S/C21H19N5O2/c1-25-12-22-17-9-13(7-8-18(17)25)11-28-21(27)23-20-16-10-14-5-3-4-6-15(14)19(16)24-26(20)2/h3-9,12H,10-11H2,1-2H3,(H,23,27)
InChIKeyPBNUYHGJGITXOX-UHFFFAOYSA-N
XLogP3.63
TPSA73.97 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.42
LogP ≤ 53.63
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-(2-methyl-4H-indeno[1,2-c]pyrazol-3-yl)carbamate?
The IUPAC name of (1-methylbenzimidazol-5-yl)methyl N-(2-methyl-4H-indeno[1,2-c]pyrazol-3-yl)carbamate (CID 89469631) is (1-methylbenzimidazol-5-yl)methyl N-(2-methyl-4H-indeno[1,2-c]pyrazol-3-yl)carbamate.
What is the SMILES notation for (1-methylbenzimidazol-5-yl)methyl N-(2-methyl-4H-indeno[1,2-c]pyrazol-3-yl)carbamate?
The canonical SMILES for (1-methylbenzimidazol-5-yl)methyl N-(2-methyl-4H-indeno[1,2-c]pyrazol-3-yl)carbamate is Cn1nc2c(c1NC(=O)OCc1ccc3c(c1)ncn3C)Cc1ccccc1-2.
What is the InChIKey of (1-methylbenzimidazol-5-yl)methyl N-(2-methyl-4H-indeno[1,2-c]pyrazol-3-yl)carbamate?
The InChIKey is PBNUYHGJGITXOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19N5O2/c1-25-12-22-17-9-13(7-8-18(17)25)11-28-21(27)23-20-16-10-14-5-3-4-6-15(14)19(16)24-26(20)2/h3-9,12H,10-11H2,1-2H3,(H,23,27).
What are the key properties of (1-methylbenzimidazol-5-yl)methyl N-(2-methyl-4H-indeno[1,2-c]pyrazol-3-yl)carbamate?
(1-methylbenzimidazol-5-yl)methyl N-(2-methyl-4H-indeno[1,2-c]pyrazol-3-yl)carbamate has a molecular weight of 373.42 g/mol, XLogP of 3.63, 3 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-(2-methyl-4H-indeno[1,2-c]pyrazol-3-yl)carbamate is sourced from PubChem (CID 89469631), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).