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

C22H21N5O3 — CID 89469544

IUPAC(1,2-dimethylbenzimidazol-5-yl)methyl N-(2-methyl-4H-chromeno[4,3-c]pyrazol-3-yl)carbamate
SMILESCc1nc2cc(COC(=O)Nc3c4c(nn3C)-c3ccccc3OC4)ccc2n1C
InChIInChI=1S/C22H21N5O3/c1-13-23-17-10-14(8-9-18(17)26(13)2)11-30-22(28)24-21-16-12-29-19-7-5-4-6-15(19)20(16)25-27(21)3/h4-10H,11-12H2,1-3H3,(H,24,28)
InChIKeyJWVBACUHQBAPSG-UHFFFAOYSA-N
MW403.44 g/mol
LogP3.92
Rot. Bonds3

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

(1,2-dimethylbenzimidazol-5-yl)methyl N-(2-methyl-4H-chromeno[4,3-c]pyrazol-3-yl)carbamate (PubChem CID 89469544) has the molecular formula C22H21N5O3 and a molecular weight of 403.44 g/mol. Its IUPAC name is (1,2-dimethylbenzimidazol-5-yl)methyl N-(2-methyl-4H-chromeno[4,3-c]pyrazol-3-yl)carbamate.

Molecular Properties

Compound Name(1,2-dimethylbenzimidazol-5-yl)methyl N-(2-methyl-4H-chromeno[4,3-c]pyrazol-3-yl)carbamate
PubChem CID89469544
Molecular FormulaC22H21N5O3
Molecular Weight403.44 g/mol
Exact Mass403.16
IUPAC Name(1,2-dimethylbenzimidazol-5-yl)methyl N-(2-methyl-4H-chromeno[4,3-c]pyrazol-3-yl)carbamate
SMILESCc1nc2cc(COC(=O)Nc3c4c(nn3C)-c3ccccc3OC4)ccc2n1C
InChIInChI=1S/C22H21N5O3/c1-13-23-17-10-14(8-9-18(17)26(13)2)11-30-22(28)24-21-16-12-29-19-7-5-4-6-15(19)20(16)25-27(21)3/h4-10H,11-12H2,1-3H3,(H,24,28)
InChIKeyJWVBACUHQBAPSG-UHFFFAOYSA-N
XLogP3.92
TPSA83.20 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.44
LogP ≤ 53.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of (1,2-dimethylbenzimidazol-5-yl)methyl N-(2-methyl-4H-chromeno[4,3-c]pyrazol-3-yl)carbamate?
The IUPAC name of (1,2-dimethylbenzimidazol-5-yl)methyl N-(2-methyl-4H-chromeno[4,3-c]pyrazol-3-yl)carbamate (CID 89469544) is (1,2-dimethylbenzimidazol-5-yl)methyl N-(2-methyl-4H-chromeno[4,3-c]pyrazol-3-yl)carbamate.
What is the SMILES notation for (1,2-dimethylbenzimidazol-5-yl)methyl N-(2-methyl-4H-chromeno[4,3-c]pyrazol-3-yl)carbamate?
The canonical SMILES for (1,2-dimethylbenzimidazol-5-yl)methyl N-(2-methyl-4H-chromeno[4,3-c]pyrazol-3-yl)carbamate is Cc1nc2cc(COC(=O)Nc3c4c(nn3C)-c3ccccc3OC4)ccc2n1C.
What is the InChIKey of (1,2-dimethylbenzimidazol-5-yl)methyl N-(2-methyl-4H-chromeno[4,3-c]pyrazol-3-yl)carbamate?
The InChIKey is JWVBACUHQBAPSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21N5O3/c1-13-23-17-10-14(8-9-18(17)26(13)2)11-30-22(28)24-21-16-12-29-19-7-5-4-6-15(19)20(16)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-chromeno[4,3-c]pyrazol-3-yl)carbamate?
(1,2-dimethylbenzimidazol-5-yl)methyl N-(2-methyl-4H-chromeno[4,3-c]pyrazol-3-yl)carbamate has a molecular weight of 403.44 g/mol, XLogP of 3.92, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (1,2-dimethylbenzimidazol-5-yl)methyl N-(2-methyl-4H-chromeno[4,3-c]pyrazol-3-yl)carbamate is sourced from PubChem (CID 89469544), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).