2-chloro-1-[(3-methyl-2,3-dihydro-1H-inden-5-yl)-phenylmethyl]imidazole

C20H19ClN2 — CID 54179925

IUPAC2-chloro-1-[(3-methyl-2,3-dihydro-1H-inden-5-yl)-phenylmethyl]imidazole
SMILESCC1CCc2ccc(C(c3ccccc3)n3ccnc3Cl)cc21
InChIInChI=1S/C20H19ClN2/c1-14-7-8-15-9-10-17(13-18(14)15)19(16-5-3-2-4-6-16)23-12-11-22-20(23)21/h2-6,9-14,19H,7-8H2,1H3
InChIKeyPBBRGLCYXLQSBR-UHFFFAOYSA-N
MW322.84 g/mol
LogP5.22
Rot. Bonds3

About 2-chloro-1-[(3-methyl-2,3-dihydro-1H-inden-5-yl)-phenylmethyl]imidazole

2-chloro-1-[(3-methyl-2,3-dihydro-1H-inden-5-yl)-phenylmethyl]imidazole (PubChem CID 54179925) has the molecular formula C20H19ClN2 and a molecular weight of 322.84 g/mol. Its IUPAC name is 2-chloro-1-[(3-methyl-2,3-dihydro-1H-inden-5-yl)-phenylmethyl]imidazole.

Molecular Properties

Compound Name2-chloro-1-[(3-methyl-2,3-dihydro-1H-inden-5-yl)-phenylmethyl]imidazole
PubChem CID54179925
Molecular FormulaC20H19ClN2
Molecular Weight322.84 g/mol
Exact Mass322.12
IUPAC Name2-chloro-1-[(3-methyl-2,3-dihydro-1H-inden-5-yl)-phenylmethyl]imidazole
SMILESCC1CCc2ccc(C(c3ccccc3)n3ccnc3Cl)cc21
InChIInChI=1S/C20H19ClN2/c1-14-7-8-15-9-10-17(13-18(14)15)19(16-5-3-2-4-6-16)23-12-11-22-20(23)21/h2-6,9-14,19H,7-8H2,1H3
InChIKeyPBBRGLCYXLQSBR-UHFFFAOYSA-N
XLogP5.22
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500322.84
LogP ≤ 55.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-chloro-1-[(3-methyl-2,3-dihydro-1H-inden-5-yl)-phenylmethyl]imidazole?
The IUPAC name of 2-chloro-1-[(3-methyl-2,3-dihydro-1H-inden-5-yl)-phenylmethyl]imidazole (CID 54179925) is 2-chloro-1-[(3-methyl-2,3-dihydro-1H-inden-5-yl)-phenylmethyl]imidazole.
What is the SMILES notation for 2-chloro-1-[(3-methyl-2,3-dihydro-1H-inden-5-yl)-phenylmethyl]imidazole?
The canonical SMILES for 2-chloro-1-[(3-methyl-2,3-dihydro-1H-inden-5-yl)-phenylmethyl]imidazole is CC1CCc2ccc(C(c3ccccc3)n3ccnc3Cl)cc21.
What is the InChIKey of 2-chloro-1-[(3-methyl-2,3-dihydro-1H-inden-5-yl)-phenylmethyl]imidazole?
The InChIKey is PBBRGLCYXLQSBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19ClN2/c1-14-7-8-15-9-10-17(13-18(14)15)19(16-5-3-2-4-6-16)23-12-11-22-20(23)21/h2-6,9-14,19H,7-8H2,1H3.
What are the key properties of 2-chloro-1-[(3-methyl-2,3-dihydro-1H-inden-5-yl)-phenylmethyl]imidazole?
2-chloro-1-[(3-methyl-2,3-dihydro-1H-inden-5-yl)-phenylmethyl]imidazole has a molecular weight of 322.84 g/mol, XLogP of 5.22, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-1-[(3-methyl-2,3-dihydro-1H-inden-5-yl)-phenylmethyl]imidazole is sourced from PubChem (CID 54179925), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).