[3-(2-methoxyphenyl)-1-methylpyrazol-5-yl]methyl N-(2,3-dihydro-1H-pyrrolo[1,2-a]benzimidazol-6-yl)carbamate

C23H23N5O3 — CID 89459749

IUPAC[3-(2-methoxyphenyl)-1-methylpyrazol-5-yl]methyl N-(2,3-dihydro-1H-pyrrolo[1,2-a]benzimidazol-6-yl)carbamate
SMILESCOc1ccccc1-c1cc(COC(=O)Nc2ccc3c(c2)nc2n3CCC2)n(C)n1
InChIInChI=1S/C23H23N5O3/c1-27-16(13-18(26-27)17-6-3-4-7-21(17)30-2)14-31-23(29)24-15-9-10-20-19(12-15)25-22-8-5-11-28(20)22/h3-4,6-7,9-10,12-13H,5,8,11,14H2,1-2H3,(H,24,29)
InChIKeyGGBIFLSBVDYTQB-UHFFFAOYSA-N
MW417.47 g/mol
LogP4.14
Rot. Bonds5

About [3-(2-methoxyphenyl)-1-methylpyrazol-5-yl]methyl N-(2,3-dihydro-1H-pyrrolo[1,2-a]benzimidazol-6-yl)carbamate

[3-(2-methoxyphenyl)-1-methylpyrazol-5-yl]methyl N-(2,3-dihydro-1H-pyrrolo[1,2-a]benzimidazol-6-yl)carbamate (PubChem CID 89459749) has the molecular formula C23H23N5O3 and a molecular weight of 417.47 g/mol. Its IUPAC name is [3-(2-methoxyphenyl)-1-methylpyrazol-5-yl]methyl N-(2,3-dihydro-1H-pyrrolo[1,2-a]benzimidazol-6-yl)carbamate.

Molecular Properties

Compound Name[3-(2-methoxyphenyl)-1-methylpyrazol-5-yl]methyl N-(2,3-dihydro-1H-pyrrolo[1,2-a]benzimidazol-6-yl)carbamate
PubChem CID89459749
Molecular FormulaC23H23N5O3
Molecular Weight417.47 g/mol
Exact Mass417.18
IUPAC Name[3-(2-methoxyphenyl)-1-methylpyrazol-5-yl]methyl N-(2,3-dihydro-1H-pyrrolo[1,2-a]benzimidazol-6-yl)carbamate
SMILESCOc1ccccc1-c1cc(COC(=O)Nc2ccc3c(c2)nc2n3CCC2)n(C)n1
InChIInChI=1S/C23H23N5O3/c1-27-16(13-18(26-27)17-6-3-4-7-21(17)30-2)14-31-23(29)24-15-9-10-20-19(12-15)25-22-8-5-11-28(20)22/h3-4,6-7,9-10,12-13H,5,8,11,14H2,1-2H3,(H,24,29)
InChIKeyGGBIFLSBVDYTQB-UHFFFAOYSA-N
XLogP4.14
TPSA83.20 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500417.47
LogP ≤ 54.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of [3-(2-methoxyphenyl)-1-methylpyrazol-5-yl]methyl N-(2,3-dihydro-1H-pyrrolo[1,2-a]benzimidazol-6-yl)carbamate?
The IUPAC name of [3-(2-methoxyphenyl)-1-methylpyrazol-5-yl]methyl N-(2,3-dihydro-1H-pyrrolo[1,2-a]benzimidazol-6-yl)carbamate (CID 89459749) is [3-(2-methoxyphenyl)-1-methylpyrazol-5-yl]methyl N-(2,3-dihydro-1H-pyrrolo[1,2-a]benzimidazol-6-yl)carbamate.
What is the SMILES notation for [3-(2-methoxyphenyl)-1-methylpyrazol-5-yl]methyl N-(2,3-dihydro-1H-pyrrolo[1,2-a]benzimidazol-6-yl)carbamate?
The canonical SMILES for [3-(2-methoxyphenyl)-1-methylpyrazol-5-yl]methyl N-(2,3-dihydro-1H-pyrrolo[1,2-a]benzimidazol-6-yl)carbamate is COc1ccccc1-c1cc(COC(=O)Nc2ccc3c(c2)nc2n3CCC2)n(C)n1.
What is the InChIKey of [3-(2-methoxyphenyl)-1-methylpyrazol-5-yl]methyl N-(2,3-dihydro-1H-pyrrolo[1,2-a]benzimidazol-6-yl)carbamate?
The InChIKey is GGBIFLSBVDYTQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23N5O3/c1-27-16(13-18(26-27)17-6-3-4-7-21(17)30-2)14-31-23(29)24-15-9-10-20-19(12-15)25-22-8-5-11-28(20)22/h3-4,6-7,9-10,12-13H,5,8,11,14H2,1-2H3,(H,24,29).
What are the key properties of [3-(2-methoxyphenyl)-1-methylpyrazol-5-yl]methyl N-(2,3-dihydro-1H-pyrrolo[1,2-a]benzimidazol-6-yl)carbamate?
[3-(2-methoxyphenyl)-1-methylpyrazol-5-yl]methyl N-(2,3-dihydro-1H-pyrrolo[1,2-a]benzimidazol-6-yl)carbamate has a molecular weight of 417.47 g/mol, XLogP of 4.14, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(2-methoxyphenyl)-1-methylpyrazol-5-yl]methyl N-(2,3-dihydro-1H-pyrrolo[1,2-a]benzimidazol-6-yl)carbamate is sourced from PubChem (CID 89459749), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).