6-chloro-1-(1H-imidazol-5-ylmethyl)indole;1-(1H-imidazol-5-ylmethyl)-2,3-dihydroindole

C24H23ClN6 — CID 158964409

IUPAC6-chloro-1-(1H-imidazol-5-ylmethyl)indole;1-(1H-imidazol-5-ylmethyl)-2,3-dihydroindole
SMILESClc1ccc2ccn(Cc3cnc[nH]3)c2c1.c1ccc2c(c1)CCN2Cc1cnc[nH]1
InChIInChI=1S/C12H10ClN3.C12H13N3/c13-10-2-1-9-3-4-16(12(9)5-10)7-11-6-14-8-15-11;1-2-4-12-10(3-1)5-6-15(12)8-11-7-13-9-14-11/h1-6,8H,7H2,(H,14,15);1-4,7,9H,5-6,8H2,(H,13,14)
InChIKeyJMZZXHQBVWRGHG-UHFFFAOYSA-N
MW430.94 g/mol
LogP5.04
Rot. Bonds4

About 6-chloro-1-(1H-imidazol-5-ylmethyl)indole;1-(1H-imidazol-5-ylmethyl)-2,3-dihydroindole

6-chloro-1-(1H-imidazol-5-ylmethyl)indole;1-(1H-imidazol-5-ylmethyl)-2,3-dihydroindole (PubChem CID 158964409) has the molecular formula C24H23ClN6 and a molecular weight of 430.94 g/mol. Its IUPAC name is 6-chloro-1-(1H-imidazol-5-ylmethyl)indole;1-(1H-imidazol-5-ylmethyl)-2,3-dihydroindole.

Molecular Properties

Compound Name6-chloro-1-(1H-imidazol-5-ylmethyl)indole;1-(1H-imidazol-5-ylmethyl)-2,3-dihydroindole
PubChem CID158964409
Molecular FormulaC24H23ClN6
Molecular Weight430.94 g/mol
Exact Mass430.17
IUPAC Name6-chloro-1-(1H-imidazol-5-ylmethyl)indole;1-(1H-imidazol-5-ylmethyl)-2,3-dihydroindole
SMILESClc1ccc2ccn(Cc3cnc[nH]3)c2c1.c1ccc2c(c1)CCN2Cc1cnc[nH]1
InChIInChI=1S/C12H10ClN3.C12H13N3/c13-10-2-1-9-3-4-16(12(9)5-10)7-11-6-14-8-15-11;1-2-4-12-10(3-1)5-6-15(12)8-11-7-13-9-14-11/h1-6,8H,7H2,(H,14,15);1-4,7,9H,5-6,8H2,(H,13,14)
InChIKeyJMZZXHQBVWRGHG-UHFFFAOYSA-N
XLogP5.04
TPSA65.53 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500430.94
LogP ≤ 55.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 6-chloro-1-(1H-imidazol-5-ylmethyl)indole;1-(1H-imidazol-5-ylmethyl)-2,3-dihydroindole with MolForge

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Related Compounds

6-(2-fluorophenyl)-1-(1H-imidazol-5-ylmethyl)-2,3-dihydroindole
CID 59435439
8-chloro-3-(1H-imidazol-5-ylmethyl)-2,5-dihydro-1H-3-benzazepin-4-one
CID 67394016
1-(1H-imidazol-5-ylmethyl)indole-6-carbonitrile
CID 162351393
1-(1H-imidazol-5-ylmethyl)-6-(4-methylphenyl)-2,3-dihydroindole
CID 59435409
1-(1H-imidazol-5-ylmethyl)-6-methoxy-2,3-dihydroindole
CID 24951528
1-(1H-imidazol-5-ylmethyl)-5-methoxy-2,3-dihydroindole
CID 24951527
1-(1H-imidazol-5-ylmethyl)-N-methyl-2,3-dihydroindole-6-carboxamide
CID 59468734
1-(1H-imidazol-5-ylmethyl)-6-thiophen-2-yl-2,3-dihydroindole
CID 59435411
5-chloro-1-(1H-imidazol-5-ylmethyl)-2-methyl-2,3-dihydroindole
CID 24951525
5-fluoro-1-(1H-imidazol-5-ylmethyl)-6-methylsulfonyl-2,3-dihydroindole
CID 59468899
N-[2-[1-(1H-imidazol-5-ylmethyl)-2,3-dihydroindol-6-yl]phenyl]methanesulfonamide
CID 59435406
1-[1-(1H-imidazol-5-ylmethyl)-2,3-dihydroindol-6-yl]-3-methylurea
CID 59468844

Frequently Asked Questions

What is the IUPAC name of 6-chloro-1-(1H-imidazol-5-ylmethyl)indole;1-(1H-imidazol-5-ylmethyl)-2,3-dihydroindole?
The IUPAC name of 6-chloro-1-(1H-imidazol-5-ylmethyl)indole;1-(1H-imidazol-5-ylmethyl)-2,3-dihydroindole (CID 158964409) is 6-chloro-1-(1H-imidazol-5-ylmethyl)indole;1-(1H-imidazol-5-ylmethyl)-2,3-dihydroindole.
What is the SMILES notation for 6-chloro-1-(1H-imidazol-5-ylmethyl)indole;1-(1H-imidazol-5-ylmethyl)-2,3-dihydroindole?
The canonical SMILES for 6-chloro-1-(1H-imidazol-5-ylmethyl)indole;1-(1H-imidazol-5-ylmethyl)-2,3-dihydroindole is Clc1ccc2ccn(Cc3cnc[nH]3)c2c1.c1ccc2c(c1)CCN2Cc1cnc[nH]1.
What is the InChIKey of 6-chloro-1-(1H-imidazol-5-ylmethyl)indole;1-(1H-imidazol-5-ylmethyl)-2,3-dihydroindole?
The InChIKey is JMZZXHQBVWRGHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10ClN3.C12H13N3/c13-10-2-1-9-3-4-16(12(9)5-10)7-11-6-14-8-15-11;1-2-4-12-10(3-1)5-6-15(12)8-11-7-13-9-14-11/h1-6,8H,7H2,(H,14,15);1-4,7,9H,5-6,8H2,(H,13,14).
What are the key properties of 6-chloro-1-(1H-imidazol-5-ylmethyl)indole;1-(1H-imidazol-5-ylmethyl)-2,3-dihydroindole?
6-chloro-1-(1H-imidazol-5-ylmethyl)indole;1-(1H-imidazol-5-ylmethyl)-2,3-dihydroindole has a molecular weight of 430.94 g/mol, XLogP of 5.04, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-1-(1H-imidazol-5-ylmethyl)indole;1-(1H-imidazol-5-ylmethyl)-2,3-dihydroindole is sourced from PubChem (CID 158964409), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).