5-(4-bromophenyl)-3-(4,5-dihydro-1H-imidazol-2-yl)-2-methyl-1H-indole;hydrochloride

C18H17BrClN3 — CID 57447569

IUPAC5-(4-bromophenyl)-3-(4,5-dihydro-1H-imidazol-2-yl)-2-methyl-1H-indole;hydrochloride
SMILESCc1[nH]c2ccc(-c3ccc(Br)cc3)cc2c1C1=NCCN1.Cl
InChIInChI=1S/C18H16BrN3.ClH/c1-11-17(18-20-8-9-21-18)15-10-13(4-7-16(15)22-11)12-2-5-14(19)6-3-12;/h2-7,10,22H,8-9H2,1H3,(H,20,21);1H
InChIKeyCWSKHSCFXYCFBN-UHFFFAOYSA-N
MW390.71 g/mol
LogP4.68
Rot. Bonds2

About 5-(4-bromophenyl)-3-(4,5-dihydro-1H-imidazol-2-yl)-2-methyl-1H-indole;hydrochloride

5-(4-bromophenyl)-3-(4,5-dihydro-1H-imidazol-2-yl)-2-methyl-1H-indole;hydrochloride (PubChem CID 57447569) has the molecular formula C18H17BrClN3 and a molecular weight of 390.71 g/mol. Its IUPAC name is 5-(4-bromophenyl)-3-(4,5-dihydro-1H-imidazol-2-yl)-2-methyl-1H-indole;hydrochloride.

Molecular Properties

Compound Name5-(4-bromophenyl)-3-(4,5-dihydro-1H-imidazol-2-yl)-2-methyl-1H-indole;hydrochloride
PubChem CID57447569
Molecular FormulaC18H17BrClN3
Molecular Weight390.71 g/mol
Exact Mass389.03
IUPAC Name5-(4-bromophenyl)-3-(4,5-dihydro-1H-imidazol-2-yl)-2-methyl-1H-indole;hydrochloride
SMILESCc1[nH]c2ccc(-c3ccc(Br)cc3)cc2c1C1=NCCN1.Cl
InChIInChI=1S/C18H16BrN3.ClH/c1-11-17(18-20-8-9-21-18)15-10-13(4-7-16(15)22-11)12-2-5-14(19)6-3-12;/h2-7,10,22H,8-9H2,1H3,(H,20,21);1H
InChIKeyCWSKHSCFXYCFBN-UHFFFAOYSA-N
XLogP4.68
TPSA40.18 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.71
LogP ≤ 54.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-(4-bromophenyl)-3-(4,5-dihydro-1H-imidazol-2-yl)-2-methyl-1H-indole;hydrochloride?
The IUPAC name of 5-(4-bromophenyl)-3-(4,5-dihydro-1H-imidazol-2-yl)-2-methyl-1H-indole;hydrochloride (CID 57447569) is 5-(4-bromophenyl)-3-(4,5-dihydro-1H-imidazol-2-yl)-2-methyl-1H-indole;hydrochloride.
What is the SMILES notation for 5-(4-bromophenyl)-3-(4,5-dihydro-1H-imidazol-2-yl)-2-methyl-1H-indole;hydrochloride?
The canonical SMILES for 5-(4-bromophenyl)-3-(4,5-dihydro-1H-imidazol-2-yl)-2-methyl-1H-indole;hydrochloride is Cc1[nH]c2ccc(-c3ccc(Br)cc3)cc2c1C1=NCCN1.Cl.
What is the InChIKey of 5-(4-bromophenyl)-3-(4,5-dihydro-1H-imidazol-2-yl)-2-methyl-1H-indole;hydrochloride?
The InChIKey is CWSKHSCFXYCFBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16BrN3.ClH/c1-11-17(18-20-8-9-21-18)15-10-13(4-7-16(15)22-11)12-2-5-14(19)6-3-12;/h2-7,10,22H,8-9H2,1H3,(H,20,21);1H.
What are the key properties of 5-(4-bromophenyl)-3-(4,5-dihydro-1H-imidazol-2-yl)-2-methyl-1H-indole;hydrochloride?
5-(4-bromophenyl)-3-(4,5-dihydro-1H-imidazol-2-yl)-2-methyl-1H-indole;hydrochloride has a molecular weight of 390.71 g/mol, XLogP of 4.68, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-bromophenyl)-3-(4,5-dihydro-1H-imidazol-2-yl)-2-methyl-1H-indole;hydrochloride is sourced from PubChem (CID 57447569), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).