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

C22H21N5O2 — CID 89469698

IUPAC(1,2-dimethylbenzimidazol-5-yl)methyl N-(2-methyl-4H-indeno[1,2-c]pyrazol-3-yl)carbamate
SMILESCc1nc2cc(COC(=O)Nc3c4c(nn3C)-c3ccccc3C4)ccc2n1C
InChIInChI=1S/C22H21N5O2/c1-13-23-18-10-14(8-9-19(18)26(13)2)12-29-22(28)24-21-17-11-15-6-4-5-7-16(15)20(17)25-27(21)3/h4-10H,11-12H2,1-3H3,(H,24,28)
InChIKeyUJUXYSOSYOMKGX-UHFFFAOYSA-N
MW387.44 g/mol
LogP3.94
Rot. Bonds3

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

(1,2-dimethylbenzimidazol-5-yl)methyl N-(2-methyl-4H-indeno[1,2-c]pyrazol-3-yl)carbamate (PubChem CID 89469698) has the molecular formula C22H21N5O2 and a molecular weight of 387.44 g/mol. Its IUPAC name is (1,2-dimethylbenzimidazol-5-yl)methyl N-(2-methyl-4H-indeno[1,2-c]pyrazol-3-yl)carbamate.

Molecular Properties

Compound Name(1,2-dimethylbenzimidazol-5-yl)methyl N-(2-methyl-4H-indeno[1,2-c]pyrazol-3-yl)carbamate
PubChem CID89469698
Molecular FormulaC22H21N5O2
Molecular Weight387.44 g/mol
Exact Mass387.17
IUPAC Name(1,2-dimethylbenzimidazol-5-yl)methyl N-(2-methyl-4H-indeno[1,2-c]pyrazol-3-yl)carbamate
SMILESCc1nc2cc(COC(=O)Nc3c4c(nn3C)-c3ccccc3C4)ccc2n1C
InChIInChI=1S/C22H21N5O2/c1-13-23-18-10-14(8-9-19(18)26(13)2)12-29-22(28)24-21-17-11-15-6-4-5-7-16(15)20(17)25-27(21)3/h4-10H,11-12H2,1-3H3,(H,24,28)
InChIKeyUJUXYSOSYOMKGX-UHFFFAOYSA-N
XLogP3.94
TPSA73.97 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.44
LogP ≤ 53.94
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-(2-methyl-4H-indeno[1,2-c]pyrazol-3-yl)carbamate?
The IUPAC name of (1,2-dimethylbenzimidazol-5-yl)methyl N-(2-methyl-4H-indeno[1,2-c]pyrazol-3-yl)carbamate (CID 89469698) is (1,2-dimethylbenzimidazol-5-yl)methyl N-(2-methyl-4H-indeno[1,2-c]pyrazol-3-yl)carbamate.
What is the SMILES notation for (1,2-dimethylbenzimidazol-5-yl)methyl N-(2-methyl-4H-indeno[1,2-c]pyrazol-3-yl)carbamate?
The canonical SMILES for (1,2-dimethylbenzimidazol-5-yl)methyl N-(2-methyl-4H-indeno[1,2-c]pyrazol-3-yl)carbamate is Cc1nc2cc(COC(=O)Nc3c4c(nn3C)-c3ccccc3C4)ccc2n1C.
What is the InChIKey of (1,2-dimethylbenzimidazol-5-yl)methyl N-(2-methyl-4H-indeno[1,2-c]pyrazol-3-yl)carbamate?
The InChIKey is UJUXYSOSYOMKGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21N5O2/c1-13-23-18-10-14(8-9-19(18)26(13)2)12-29-22(28)24-21-17-11-15-6-4-5-7-16(15)20(17)25-27(21)3/h4-10H,11-12H2,1-3H3,(H,24,28).
What are the key properties of (1,2-dimethylbenzimidazol-5-yl)methyl N-(2-methyl-4H-indeno[1,2-c]pyrazol-3-yl)carbamate?
(1,2-dimethylbenzimidazol-5-yl)methyl N-(2-methyl-4H-indeno[1,2-c]pyrazol-3-yl)carbamate has a molecular weight of 387.44 g/mol, XLogP of 3.94, 3 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-(2-methyl-4H-indeno[1,2-c]pyrazol-3-yl)carbamate is sourced from PubChem (CID 89469698), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).