3-(4,5-dihydro-1H-imidazol-2-ylmethyl)-2-phenyl-1H-indole

C18H17N3 — CID 10039075

IUPAC3-(4,5-dihydro-1H-imidazol-2-ylmethyl)-2-phenyl-1H-indole
SMILESc1ccc(-c2[nH]c3ccccc3c2CC2=NCCN2)cc1
InChIInChI=1S/C18H17N3/c1-2-6-13(7-3-1)18-15(12-17-19-10-11-20-17)14-8-4-5-9-16(14)21-18/h1-9,21H,10-12H2,(H,19,20)
InChIKeyXDYOPVVRKUWOSP-UHFFFAOYSA-N
MW275.36 g/mol
LogP3.38
Rot. Bonds3

About 3-(4,5-dihydro-1H-imidazol-2-ylmethyl)-2-phenyl-1H-indole

3-(4,5-dihydro-1H-imidazol-2-ylmethyl)-2-phenyl-1H-indole (PubChem CID 10039075) has the molecular formula C18H17N3 and a molecular weight of 275.36 g/mol. Its IUPAC name is 3-(4,5-dihydro-1H-imidazol-2-ylmethyl)-2-phenyl-1H-indole.

Molecular Properties

Compound Name3-(4,5-dihydro-1H-imidazol-2-ylmethyl)-2-phenyl-1H-indole
PubChem CID10039075
Molecular FormulaC18H17N3
Molecular Weight275.36 g/mol
Exact Mass275.14
IUPAC Name3-(4,5-dihydro-1H-imidazol-2-ylmethyl)-2-phenyl-1H-indole
SMILESc1ccc(-c2[nH]c3ccccc3c2CC2=NCCN2)cc1
InChIInChI=1S/C18H17N3/c1-2-6-13(7-3-1)18-15(12-17-19-10-11-20-17)14-8-4-5-9-16(14)21-18/h1-9,21H,10-12H2,(H,19,20)
InChIKeyXDYOPVVRKUWOSP-UHFFFAOYSA-N
XLogP3.38
TPSA40.18 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.36
LogP ≤ 53.38
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-ylmethyl)-2-phenyl-1H-indole?
The IUPAC name of 3-(4,5-dihydro-1H-imidazol-2-ylmethyl)-2-phenyl-1H-indole (CID 10039075) is 3-(4,5-dihydro-1H-imidazol-2-ylmethyl)-2-phenyl-1H-indole.
What is the SMILES notation for 3-(4,5-dihydro-1H-imidazol-2-ylmethyl)-2-phenyl-1H-indole?
The canonical SMILES for 3-(4,5-dihydro-1H-imidazol-2-ylmethyl)-2-phenyl-1H-indole is c1ccc(-c2[nH]c3ccccc3c2CC2=NCCN2)cc1.
What is the InChIKey of 3-(4,5-dihydro-1H-imidazol-2-ylmethyl)-2-phenyl-1H-indole?
The InChIKey is XDYOPVVRKUWOSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17N3/c1-2-6-13(7-3-1)18-15(12-17-19-10-11-20-17)14-8-4-5-9-16(14)21-18/h1-9,21H,10-12H2,(H,19,20).
What are the key properties of 3-(4,5-dihydro-1H-imidazol-2-ylmethyl)-2-phenyl-1H-indole?
3-(4,5-dihydro-1H-imidazol-2-ylmethyl)-2-phenyl-1H-indole has a molecular weight of 275.36 g/mol, XLogP of 3.38, 3 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-ylmethyl)-2-phenyl-1H-indole is sourced from PubChem (CID 10039075), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).