1-(3,4-dihydro-1H-isochromen-1-ylmethyl)-5-(1H-imidazol-2-yl)-4-phenylimidazole

C22H20N4O — CID 50984038

IUPAC1-(3,4-dihydro-1H-isochromen-1-ylmethyl)-5-(1H-imidazol-2-yl)-4-phenylimidazole
SMILESc1ccc(-c2ncn(CC3OCCc4ccccc43)c2-c2ncc[nH]2)cc1
InChIInChI=1S/C22H20N4O/c1-2-7-17(8-3-1)20-21(22-23-11-12-24-22)26(15-25-20)14-19-18-9-5-4-6-16(18)10-13-27-19/h1-9,11-12,15,19H,10,13-14H2,(H,23,24)
InChIKeyJXBBHVIFDRQVFF-UHFFFAOYSA-N
MW356.43 g/mol
LogP4.25
Rot. Bonds4

About 1-(3,4-dihydro-1H-isochromen-1-ylmethyl)-5-(1H-imidazol-2-yl)-4-phenylimidazole

1-(3,4-dihydro-1H-isochromen-1-ylmethyl)-5-(1H-imidazol-2-yl)-4-phenylimidazole (PubChem CID 50984038) has the molecular formula C22H20N4O and a molecular weight of 356.43 g/mol. Its IUPAC name is 1-(3,4-dihydro-1H-isochromen-1-ylmethyl)-5-(1H-imidazol-2-yl)-4-phenylimidazole.

Molecular Properties

Compound Name1-(3,4-dihydro-1H-isochromen-1-ylmethyl)-5-(1H-imidazol-2-yl)-4-phenylimidazole
PubChem CID50984038
Molecular FormulaC22H20N4O
Molecular Weight356.43 g/mol
Exact Mass356.16
IUPAC Name1-(3,4-dihydro-1H-isochromen-1-ylmethyl)-5-(1H-imidazol-2-yl)-4-phenylimidazole
SMILESc1ccc(-c2ncn(CC3OCCc4ccccc43)c2-c2ncc[nH]2)cc1
InChIInChI=1S/C22H20N4O/c1-2-7-17(8-3-1)20-21(22-23-11-12-24-22)26(15-25-20)14-19-18-9-5-4-6-16(18)10-13-27-19/h1-9,11-12,15,19H,10,13-14H2,(H,23,24)
InChIKeyJXBBHVIFDRQVFF-UHFFFAOYSA-N
XLogP4.25
TPSA55.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.43
LogP ≤ 54.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(2S,3S)-3-(3,5-Bis-trifluoromethyl-benzyloxy)-1-(1H-imidazol-4-ylmethyl)-2-phenyl-piperidine
CID 11799022
(3R)-1-cyclohexyl-3-(5-phenyl-1H-imidazol-2-yl)-1,3,4,9-tetrahydropyrano[3,4-b]indole
CID 122179449
5-[3-(1H-imidazol-5-yl)propoxy-phenylmethyl]pyrimidine
CID 134136372
3-[3-(1H-imidazol-5-yl)propoxy-phenylmethyl]pyridine
CID 134140327
4-[1-(5-naphthalen-2-yl-1H-imidazol-2-yl)ethoxymethyl]pyridine
CID 156012792
4-[2-(5-naphthalen-2-yl-1H-imidazol-2-yl)propan-2-yloxymethyl]pyridine
CID 156015497
4-[[(5-naphthalen-2-yl-1H-imidazol-2-yl)-phenylmethoxy]methyl]pyridine
CID 156017189
9-(5-naphthalen-2-yl-1H-imidazol-2-yl)-9-(pyridin-4-ylmethoxy)nonan-3-ol
CID 156020363
[1-(3H-Imidazol-4-ylmethyl)-4-naphthalen-1-yl-1H-pyrrol-3-yl]-phenyl-methanol
CID 44331329
(2,6-dimethylphenyl)-(5-naphthalen-1-yl-1H-imidazol-2-yl)methanol
CID 49786924
[5-(2-methylphenyl)-1H-imidazol-2-yl]-phenylmethanol
CID 49790604
(3,5-dimethylphenyl)-(5-naphthalen-1-yl-1H-imidazol-2-yl)methanol
CID 155552905

Frequently Asked Questions

What is the IUPAC name of 1-(3,4-dihydro-1H-isochromen-1-ylmethyl)-5-(1H-imidazol-2-yl)-4-phenylimidazole?
The IUPAC name of 1-(3,4-dihydro-1H-isochromen-1-ylmethyl)-5-(1H-imidazol-2-yl)-4-phenylimidazole (CID 50984038) is 1-(3,4-dihydro-1H-isochromen-1-ylmethyl)-5-(1H-imidazol-2-yl)-4-phenylimidazole.
What is the SMILES notation for 1-(3,4-dihydro-1H-isochromen-1-ylmethyl)-5-(1H-imidazol-2-yl)-4-phenylimidazole?
The canonical SMILES for 1-(3,4-dihydro-1H-isochromen-1-ylmethyl)-5-(1H-imidazol-2-yl)-4-phenylimidazole is c1ccc(-c2ncn(CC3OCCc4ccccc43)c2-c2ncc[nH]2)cc1.
What is the InChIKey of 1-(3,4-dihydro-1H-isochromen-1-ylmethyl)-5-(1H-imidazol-2-yl)-4-phenylimidazole?
The InChIKey is JXBBHVIFDRQVFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20N4O/c1-2-7-17(8-3-1)20-21(22-23-11-12-24-22)26(15-25-20)14-19-18-9-5-4-6-16(18)10-13-27-19/h1-9,11-12,15,19H,10,13-14H2,(H,23,24).
What are the key properties of 1-(3,4-dihydro-1H-isochromen-1-ylmethyl)-5-(1H-imidazol-2-yl)-4-phenylimidazole?
1-(3,4-dihydro-1H-isochromen-1-ylmethyl)-5-(1H-imidazol-2-yl)-4-phenylimidazole has a molecular weight of 356.43 g/mol, XLogP of 4.25, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,4-dihydro-1H-isochromen-1-ylmethyl)-5-(1H-imidazol-2-yl)-4-phenylimidazole is sourced from PubChem (CID 50984038), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).