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

C18H18ClN3 — CID 18476272

IUPAC3-(4,5-dihydro-1H-imidazol-2-yl)-2-methyl-5-phenyl-1H-indole;hydrochloride
SMILESCc1[nH]c2ccc(-c3ccccc3)cc2c1C1=NCCN1.Cl
InChIInChI=1S/C18H17N3.ClH/c1-12-17(18-19-9-10-20-18)15-11-14(7-8-16(15)21-12)13-5-3-2-4-6-13;/h2-8,11,21H,9-10H2,1H3,(H,19,20);1H
InChIKeyLHTVGPZFVKXSRB-UHFFFAOYSA-N
MW311.82 g/mol
LogP3.91
Rot. Bonds2

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

3-(4,5-dihydro-1H-imidazol-2-yl)-2-methyl-5-phenyl-1H-indole;hydrochloride (PubChem CID 18476272) has the molecular formula C18H18ClN3 and a molecular weight of 311.82 g/mol. Its IUPAC name is 3-(4,5-dihydro-1H-imidazol-2-yl)-2-methyl-5-phenyl-1H-indole;hydrochloride.

Molecular Properties

Compound Name3-(4,5-dihydro-1H-imidazol-2-yl)-2-methyl-5-phenyl-1H-indole;hydrochloride
PubChem CID18476272
Molecular FormulaC18H18ClN3
Molecular Weight311.82 g/mol
Exact Mass311.12
IUPAC Name3-(4,5-dihydro-1H-imidazol-2-yl)-2-methyl-5-phenyl-1H-indole;hydrochloride
SMILESCc1[nH]c2ccc(-c3ccccc3)cc2c1C1=NCCN1.Cl
InChIInChI=1S/C18H17N3.ClH/c1-12-17(18-19-9-10-20-18)15-11-14(7-8-16(15)21-12)13-5-3-2-4-6-13;/h2-8,11,21H,9-10H2,1H3,(H,19,20);1H
InChIKeyLHTVGPZFVKXSRB-UHFFFAOYSA-N
XLogP3.91
TPSA40.18 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.82
LogP ≤ 53.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-(4,5-dihydro-1H-imidazol-2-yl)-2-methyl-5-phenyl-1H-indole;hydrochloride?
The IUPAC name of 3-(4,5-dihydro-1H-imidazol-2-yl)-2-methyl-5-phenyl-1H-indole;hydrochloride (CID 18476272) is 3-(4,5-dihydro-1H-imidazol-2-yl)-2-methyl-5-phenyl-1H-indole;hydrochloride.
What is the SMILES notation for 3-(4,5-dihydro-1H-imidazol-2-yl)-2-methyl-5-phenyl-1H-indole;hydrochloride?
The canonical SMILES for 3-(4,5-dihydro-1H-imidazol-2-yl)-2-methyl-5-phenyl-1H-indole;hydrochloride is Cc1[nH]c2ccc(-c3ccccc3)cc2c1C1=NCCN1.Cl.
What is the InChIKey of 3-(4,5-dihydro-1H-imidazol-2-yl)-2-methyl-5-phenyl-1H-indole;hydrochloride?
The InChIKey is LHTVGPZFVKXSRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17N3.ClH/c1-12-17(18-19-9-10-20-18)15-11-14(7-8-16(15)21-12)13-5-3-2-4-6-13;/h2-8,11,21H,9-10H2,1H3,(H,19,20);1H.
What are the key properties of 3-(4,5-dihydro-1H-imidazol-2-yl)-2-methyl-5-phenyl-1H-indole;hydrochloride?
3-(4,5-dihydro-1H-imidazol-2-yl)-2-methyl-5-phenyl-1H-indole;hydrochloride has a molecular weight of 311.82 g/mol, XLogP of 3.91, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4,5-dihydro-1H-imidazol-2-yl)-2-methyl-5-phenyl-1H-indole;hydrochloride is sourced from PubChem (CID 18476272), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).