2-chloro-1-[2,3-dihydro-1H-inden-4-yl(phenyl)methyl]imidazole

C19H17ClN2 — CID 54323596

IUPAC2-chloro-1-[2,3-dihydro-1H-inden-4-yl(phenyl)methyl]imidazole
SMILESClc1nccn1C(c1ccccc1)c1cccc2c1CCC2
InChIInChI=1S/C19H17ClN2/c20-19-21-12-13-22(19)18(15-6-2-1-3-7-15)17-11-5-9-14-8-4-10-16(14)17/h1-3,5-7,9,11-13,18H,4,8,10H2
InChIKeySTJBZSUTBVEJNE-UHFFFAOYSA-N
MW308.81 g/mol
LogP4.66
Rot. Bonds3

About 2-chloro-1-[2,3-dihydro-1H-inden-4-yl(phenyl)methyl]imidazole

2-chloro-1-[2,3-dihydro-1H-inden-4-yl(phenyl)methyl]imidazole (PubChem CID 54323596) has the molecular formula C19H17ClN2 and a molecular weight of 308.81 g/mol. Its IUPAC name is 2-chloro-1-[2,3-dihydro-1H-inden-4-yl(phenyl)methyl]imidazole.

Molecular Properties

Compound Name2-chloro-1-[2,3-dihydro-1H-inden-4-yl(phenyl)methyl]imidazole
PubChem CID54323596
Molecular FormulaC19H17ClN2
Molecular Weight308.81 g/mol
Exact Mass308.11
IUPAC Name2-chloro-1-[2,3-dihydro-1H-inden-4-yl(phenyl)methyl]imidazole
SMILESClc1nccn1C(c1ccccc1)c1cccc2c1CCC2
InChIInChI=1S/C19H17ClN2/c20-19-21-12-13-22(19)18(15-6-2-1-3-7-15)17-11-5-9-14-8-4-10-16(14)17/h1-3,5-7,9,11-13,18H,4,8,10H2
InChIKeySTJBZSUTBVEJNE-UHFFFAOYSA-N
XLogP4.66
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.81
LogP ≤ 54.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-chloro-1-[2,3-dihydro-1H-inden-4-yl(phenyl)methyl]imidazole?
The IUPAC name of 2-chloro-1-[2,3-dihydro-1H-inden-4-yl(phenyl)methyl]imidazole (CID 54323596) is 2-chloro-1-[2,3-dihydro-1H-inden-4-yl(phenyl)methyl]imidazole.
What is the SMILES notation for 2-chloro-1-[2,3-dihydro-1H-inden-4-yl(phenyl)methyl]imidazole?
The canonical SMILES for 2-chloro-1-[2,3-dihydro-1H-inden-4-yl(phenyl)methyl]imidazole is Clc1nccn1C(c1ccccc1)c1cccc2c1CCC2.
What is the InChIKey of 2-chloro-1-[2,3-dihydro-1H-inden-4-yl(phenyl)methyl]imidazole?
The InChIKey is STJBZSUTBVEJNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17ClN2/c20-19-21-12-13-22(19)18(15-6-2-1-3-7-15)17-11-5-9-14-8-4-10-16(14)17/h1-3,5-7,9,11-13,18H,4,8,10H2.
What are the key properties of 2-chloro-1-[2,3-dihydro-1H-inden-4-yl(phenyl)methyl]imidazole?
2-chloro-1-[2,3-dihydro-1H-inden-4-yl(phenyl)methyl]imidazole has a molecular weight of 308.81 g/mol, XLogP of 4.66, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-1-[2,3-dihydro-1H-inden-4-yl(phenyl)methyl]imidazole is sourced from PubChem (CID 54323596), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).