7-chloro-1-(1H-imidazol-2-ylmethyl)-2,3-dihydroindole;1-(1H-imidazol-2-ylmethyl)-4-methoxy-2,3-dihydroindole;1-(1H-imidazol-2-ylmethyl)-7-methoxy-2,3-dihydroindole;1-(1H-imidazol-2-ylmethyl)-6-methyl-2,3-dihydroindole;1-(1H-imidazol-2-ylmethyl)-7-methyl-2,3-dihydroindole

C64H72ClN15O2 — CID 173112621

IUPAC7-chloro-1-(1H-imidazol-2-ylmethyl)-2,3-dihydroindole;1-(1H-imidazol-2-ylmethyl)-4-methoxy-2,3-dihydroindole;1-(1H-imidazol-2-ylmethyl)-7-methoxy-2,3-dihydroindole;1-(1H-imidazol-2-ylmethyl)-6-methyl-2,3-dihydroindole;1-(1H-imidazol-2-ylmethyl)-7-methyl-2,3-dihydroindole
SMILESCOc1cccc2c1CCN2Cc1ncc[nH]1.COc1cccc2c1N(Cc1ncc[nH]1)CC2.Cc1ccc2c(c1)N(Cc1ncc[nH]1)CC2.Cc1cccc2c1N(Cc1ncc[nH]1)CC2.Clc1cccc2c1N(Cc1ncc[nH]1)CC2
InChIInChI=1S/2C13H15N3O.2C13H15N3.C12H12ClN3/c1-17-12-4-2-3-11-10(12)5-8-16(11)9-13-14-6-7-15-13;1-17-11-4-2-3-10-5-8-16(13(10)11)9-12-14-6-7-15-12;1-10-2-3-11-4-7-16(12(11)8-10)9-13-14-5-6-15-13;1-10-3-2-4-11-5-8-16(13(10)11)9-12-14-6-7-15-12;13-10-3-1-2-9-4-7-16(12(9)10)8-11-14-5-6-15-11/h2*2-4,6-7H,5,8-9H2,1H3,(H,14,15);2-3,5-6,8H,4,7,9H2,1H3,(H,14,15);2-4,6-7H,5,8-9H2,1H3,(H,14,15);1-3,5-6H,4,7-8H2,(H,14,15)
InChIKeyDYRZUJWIKXFPMR-UHFFFAOYSA-N
MW1118.84 g/mol
LogP11.15
Rot. Bonds12

About 7-chloro-1-(1H-imidazol-2-ylmethyl)-2,3-dihydroindole;1-(1H-imidazol-2-ylmethyl)-4-methoxy-2,3-dihydroindole;1-(1H-imidazol-2-ylmethyl)-7-methoxy-2,3-dihydroindole;1-(1H-imidazol-2-ylmethyl)-6-methyl-2,3-dihydroindole;1-(1H-imidazol-2-ylmethyl)-7-methyl-2,3-dihydroindole

7-chloro-1-(1H-imidazol-2-ylmethyl)-2,3-dihydroindole;1-(1H-imidazol-2-ylmethyl)-4-methoxy-2,3-dihydroindole;1-(1H-imidazol-2-ylmethyl)-7-methoxy-2,3-dihydroindole;1-(1H-imidazol-2-ylmethyl)-6-methyl-2,3-dihydroindole;1-(1H-imidazol-2-ylmethyl)-7-methyl-2,3-dihydroindole (PubChem CID 173112621) has the molecular formula C64H72ClN15O2 and a molecular weight of 1118.84 g/mol. Its IUPAC name is 7-chloro-1-(1H-imidazol-2-ylmethyl)-2,3-dihydroindole;1-(1H-imidazol-2-ylmethyl)-4-methoxy-2,3-dihydroindole;1-(1H-imidazol-2-ylmethyl)-7-methoxy-2,3-dihydroindole;1-(1H-imidazol-2-ylmethyl)-6-methyl-2,3-dihydroindole;1-(1H-imidazol-2-ylmethyl)-7-methyl-2,3-dihydroindole.

Molecular Properties

Compound Name7-chloro-1-(1H-imidazol-2-ylmethyl)-2,3-dihydroindole;1-(1H-imidazol-2-ylmethyl)-4-methoxy-2,3-dihydroindole;1-(1H-imidazol-2-ylmethyl)-7-methoxy-2,3-dihydroindole;1-(1H-imidazol-2-ylmethyl)-6-methyl-2,3-dihydroindole;1-(1H-imidazol-2-ylmethyl)-7-methyl-2,3-dihydroindole
PubChem CID173112621
Molecular FormulaC64H72ClN15O2
Molecular Weight1118.84 g/mol
Exact Mass1117.57
IUPAC Name7-chloro-1-(1H-imidazol-2-ylmethyl)-2,3-dihydroindole;1-(1H-imidazol-2-ylmethyl)-4-methoxy-2,3-dihydroindole;1-(1H-imidazol-2-ylmethyl)-7-methoxy-2,3-dihydroindole;1-(1H-imidazol-2-ylmethyl)-6-methyl-2,3-dihydroindole;1-(1H-imidazol-2-ylmethyl)-7-methyl-2,3-dihydroindole
SMILESCOc1cccc2c1CCN2Cc1ncc[nH]1.COc1cccc2c1N(Cc1ncc[nH]1)CC2.Cc1ccc2c(c1)N(Cc1ncc[nH]1)CC2.Cc1cccc2c1N(Cc1ncc[nH]1)CC2.Clc1cccc2c1N(Cc1ncc[nH]1)CC2
InChIInChI=1S/2C13H15N3O.2C13H15N3.C12H12ClN3/c1-17-12-4-2-3-11-10(12)5-8-16(11)9-13-14-6-7-15-13;1-17-11-4-2-3-10-5-8-16(13(10)11)9-12-14-6-7-15-12;1-10-2-3-11-4-7-16(12(11)8-10)9-13-14-5-6-15-13;1-10-3-2-4-11-5-8-16(13(10)11)9-12-14-6-7-15-12;13-10-3-1-2-9-4-7-16(12(9)10)8-11-14-5-6-15-11/h2*2-4,6-7H,5,8-9H2,1H3,(H,14,15);2-3,5-6,8H,4,7,9H2,1H3,(H,14,15);2-4,6-7H,5,8-9H2,1H3,(H,14,15);1-3,5-6H,4,7-8H2,(H,14,15)
InChIKeyDYRZUJWIKXFPMR-UHFFFAOYSA-N
XLogP11.15
TPSA178.06 Ų
H-Bond Donors5
H-Bond Acceptors12
Rotatable Bonds12
Heavy Atoms82
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001118.84
LogP ≤ 511.15
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 1012

Analyze 7-chloro-1-(1H-imidazol-2-ylmethyl)-2,3-dihydroindole;1-(1H-imidazol-2-ylmethyl)-4-methoxy-2,3-dihydroindole;1-(1H-imidazol-2-ylmethyl)-7-methoxy-2,3-dihydroindole;1-(1H-imidazol-2-ylmethyl)-6-methyl-2,3-dihydroindole;1-(1H-imidazol-2-ylmethyl)-7-methyl-2,3-dihydroindole with MolForge

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Frequently Asked Questions

What is the IUPAC name of 7-chloro-1-(1H-imidazol-2-ylmethyl)-2,3-dihydroindole;1-(1H-imidazol-2-ylmethyl)-4-methoxy-2,3-dihydroindole;1-(1H-imidazol-2-ylmethyl)-7-methoxy-2,3-dihydroindole;1-(1H-imidazol-2-ylmethyl)-6-methyl-2,3-dihydroindole;1-(1H-imidazol-2-ylmethyl)-7-methyl-2,3-dihydroindole?
The IUPAC name of 7-chloro-1-(1H-imidazol-2-ylmethyl)-2,3-dihydroindole;1-(1H-imidazol-2-ylmethyl)-4-methoxy-2,3-dihydroindole;1-(1H-imidazol-2-ylmethyl)-7-methoxy-2,3-dihydroindole;1-(1H-imidazol-2-ylmethyl)-6-methyl-2,3-dihydroindole;1-(1H-imidazol-2-ylmethyl)-7-methyl-2,3-dihydroindole (CID 173112621) is 7-chloro-1-(1H-imidazol-2-ylmethyl)-2,3-dihydroindole;1-(1H-imidazol-2-ylmethyl)-4-methoxy-2,3-dihydroindole;1-(1H-imidazol-2-ylmethyl)-7-methoxy-2,3-dihydroindole;1-(1H-imidazol-2-ylmethyl)-6-methyl-2,3-dihydroindole;1-(1H-imidazol-2-ylmethyl)-7-methyl-2,3-dihydroindole.
What is the SMILES notation for 7-chloro-1-(1H-imidazol-2-ylmethyl)-2,3-dihydroindole;1-(1H-imidazol-2-ylmethyl)-4-methoxy-2,3-dihydroindole;1-(1H-imidazol-2-ylmethyl)-7-methoxy-2,3-dihydroindole;1-(1H-imidazol-2-ylmethyl)-6-methyl-2,3-dihydroindole;1-(1H-imidazol-2-ylmethyl)-7-methyl-2,3-dihydroindole?
The canonical SMILES for 7-chloro-1-(1H-imidazol-2-ylmethyl)-2,3-dihydroindole;1-(1H-imidazol-2-ylmethyl)-4-methoxy-2,3-dihydroindole;1-(1H-imidazol-2-ylmethyl)-7-methoxy-2,3-dihydroindole;1-(1H-imidazol-2-ylmethyl)-6-methyl-2,3-dihydroindole;1-(1H-imidazol-2-ylmethyl)-7-methyl-2,3-dihydroindole is COc1cccc2c1CCN2Cc1ncc[nH]1.COc1cccc2c1N(Cc1ncc[nH]1)CC2.Cc1ccc2c(c1)N(Cc1ncc[nH]1)CC2.Cc1cccc2c1N(Cc1ncc[nH]1)CC2.Clc1cccc2c1N(Cc1ncc[nH]1)CC2.
What is the InChIKey of 7-chloro-1-(1H-imidazol-2-ylmethyl)-2,3-dihydroindole;1-(1H-imidazol-2-ylmethyl)-4-methoxy-2,3-dihydroindole;1-(1H-imidazol-2-ylmethyl)-7-methoxy-2,3-dihydroindole;1-(1H-imidazol-2-ylmethyl)-6-methyl-2,3-dihydroindole;1-(1H-imidazol-2-ylmethyl)-7-methyl-2,3-dihydroindole?
The InChIKey is DYRZUJWIKXFPMR-UHFFFAOYSA-N. The full InChI is InChI=1S/2C13H15N3O.2C13H15N3.C12H12ClN3/c1-17-12-4-2-3-11-10(12)5-8-16(11)9-13-14-6-7-15-13;1-17-11-4-2-3-10-5-8-16(13(10)11)9-12-14-6-7-15-12;1-10-2-3-11-4-7-16(12(11)8-10)9-13-14-5-6-15-13;1-10-3-2-4-11-5-8-16(13(10)11)9-12-14-6-7-15-12;13-10-3-1-2-9-4-7-16(12(9)10)8-11-14-5-6-15-11/h2*2-4,6-7H,5,8-9H2,1H3,(H,14,15);2-3,5-6,8H,4,7,9H2,1H3,(H,14,15);2-4,6-7H,5,8-9H2,1H3,(H,14,15);1-3,5-6H,4,7-8H2,(H,14,15).
What are the key properties of 7-chloro-1-(1H-imidazol-2-ylmethyl)-2,3-dihydroindole;1-(1H-imidazol-2-ylmethyl)-4-methoxy-2,3-dihydroindole;1-(1H-imidazol-2-ylmethyl)-7-methoxy-2,3-dihydroindole;1-(1H-imidazol-2-ylmethyl)-6-methyl-2,3-dihydroindole;1-(1H-imidazol-2-ylmethyl)-7-methyl-2,3-dihydroindole?
7-chloro-1-(1H-imidazol-2-ylmethyl)-2,3-dihydroindole;1-(1H-imidazol-2-ylmethyl)-4-methoxy-2,3-dihydroindole;1-(1H-imidazol-2-ylmethyl)-7-methoxy-2,3-dihydroindole;1-(1H-imidazol-2-ylmethyl)-6-methyl-2,3-dihydroindole;1-(1H-imidazol-2-ylmethyl)-7-methyl-2,3-dihydroindole has a molecular weight of 1118.84 g/mol, XLogP of 11.15, 12 rotatable bonds, 5 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for 7-chloro-1-(1H-imidazol-2-ylmethyl)-2,3-dihydroindole;1-(1H-imidazol-2-ylmethyl)-4-methoxy-2,3-dihydroindole;1-(1H-imidazol-2-ylmethyl)-7-methoxy-2,3-dihydroindole;1-(1H-imidazol-2-ylmethyl)-6-methyl-2,3-dihydroindole;1-(1H-imidazol-2-ylmethyl)-7-methyl-2,3-dihydroindole is sourced from PubChem (CID 173112621), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).