1-benzyl-3-(imidazol-1-ylmethyl)indole

C19H17N3 — CID 10062599

IUPAC1-benzyl-3-(imidazol-1-ylmethyl)indole
SMILESc1ccc(Cn2cc(Cn3ccnc3)c3ccccc32)cc1
InChIInChI=1S/C19H17N3/c1-2-6-16(7-3-1)12-22-14-17(13-21-11-10-20-15-21)18-8-4-5-9-19(18)22/h1-11,14-15H,12-13H2
InChIKeyKTQMVAFITXRSCK-UHFFFAOYSA-N
MW287.37 g/mol
LogP3.93
Rot. Bonds4

About 1-benzyl-3-(imidazol-1-ylmethyl)indole

1-benzyl-3-(imidazol-1-ylmethyl)indole (PubChem CID 10062599) has the molecular formula C19H17N3 and a molecular weight of 287.37 g/mol. Its IUPAC name is 1-benzyl-3-(imidazol-1-ylmethyl)indole.

Molecular Properties

Compound Name1-benzyl-3-(imidazol-1-ylmethyl)indole
PubChem CID10062599
Molecular FormulaC19H17N3
Molecular Weight287.37 g/mol
Exact Mass287.14
IUPAC Name1-benzyl-3-(imidazol-1-ylmethyl)indole
SMILESc1ccc(Cn2cc(Cn3ccnc3)c3ccccc32)cc1
InChIInChI=1S/C19H17N3/c1-2-6-16(7-3-1)12-22-14-17(13-21-11-10-20-15-21)18-8-4-5-9-19(18)22/h1-11,14-15H,12-13H2
InChIKeyKTQMVAFITXRSCK-UHFFFAOYSA-N
XLogP3.93
TPSA22.75 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.37
LogP ≤ 53.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-[[3-(imidazol-1-ylmethyl)indol-1-yl]methyl]benzonitrile
CID 23456707
2-[1-(pyridin-4-ylmethyl)indol-3-yl]acetic acid
CID 22071716
(E)-but-2-enedioic acid;2-[3-[3-(imidazol-1-ylmethyl)indol-1-yl]propyl]isoindole-1,3-dione
CID 23456724
1-benzylimidazole;chloro hypochlorite;selane
CID 175250503
2-(1-benzylindol-3-yl)ethanol
CID 13134935
benzaldehyde;1-benzylimidazole
CID 23446402
1-(1-benzylindol-3-yl)propan-2-amine
CID 3137663
1-benzyl-3-but-3-enylindole
CID 174396068
N-[1-(1-ethylindol-3-yl)propan-2-yl]-2-(imidazol-1-ylmethyl)benzamide
CID 46957121
1-[(2-phenylmethoxyphenyl)methyl]imidazole
CID 12903383
3-(3-chlorophenyl)-5-[3-(imidazol-1-ylmethyl)indol-1-yl]-1,2-oxazole;hydrochloride
CID 67796301
[1-[(4-chlorophenyl)methyl]indol-3-yl]-[5-(imidazol-1-ylmethyl)-1H-imidazol-2-yl]methanone
CID 20730288

Frequently Asked Questions

What is the IUPAC name of 1-benzyl-3-(imidazol-1-ylmethyl)indole?
The IUPAC name of 1-benzyl-3-(imidazol-1-ylmethyl)indole (CID 10062599) is 1-benzyl-3-(imidazol-1-ylmethyl)indole.
What is the SMILES notation for 1-benzyl-3-(imidazol-1-ylmethyl)indole?
The canonical SMILES for 1-benzyl-3-(imidazol-1-ylmethyl)indole is c1ccc(Cn2cc(Cn3ccnc3)c3ccccc32)cc1.
What is the InChIKey of 1-benzyl-3-(imidazol-1-ylmethyl)indole?
The InChIKey is KTQMVAFITXRSCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17N3/c1-2-6-16(7-3-1)12-22-14-17(13-21-11-10-20-15-21)18-8-4-5-9-19(18)22/h1-11,14-15H,12-13H2.
What are the key properties of 1-benzyl-3-(imidazol-1-ylmethyl)indole?
1-benzyl-3-(imidazol-1-ylmethyl)indole has a molecular weight of 287.37 g/mol, XLogP of 3.93, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-3-(imidazol-1-ylmethyl)indole is sourced from PubChem (CID 10062599), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).