2-[3-(5-methyl-1H-imidazol-2-yl)-3,4-dihydro-2H-chromen-2-yl]-5-phenyl-1H-imidazole

C22H20N4O — CID 175450946

IUPAC2-[3-(5-methyl-1H-imidazol-2-yl)-3,4-dihydro-2H-chromen-2-yl]-5-phenyl-1H-imidazole
SMILESCc1cnc(C2Cc3ccccc3OC2c2ncc(-c3ccccc3)[nH]2)[nH]1
InChIInChI=1S/C22H20N4O/c1-14-12-23-21(25-14)17-11-16-9-5-6-10-19(16)27-20(17)22-24-13-18(26-22)15-7-3-2-4-8-15/h2-10,12-13,17,20H,11H2,1H3,(H,23,25)(H,24,26)
InChIKeySFXGNMALOSGPCP-UHFFFAOYSA-N
MW356.43 g/mol
LogP4.57
Rot. Bonds3

About 2-[3-(5-methyl-1H-imidazol-2-yl)-3,4-dihydro-2H-chromen-2-yl]-5-phenyl-1H-imidazole

2-[3-(5-methyl-1H-imidazol-2-yl)-3,4-dihydro-2H-chromen-2-yl]-5-phenyl-1H-imidazole (PubChem CID 175450946) has the molecular formula C22H20N4O and a molecular weight of 356.43 g/mol. Its IUPAC name is 2-[3-(5-methyl-1H-imidazol-2-yl)-3,4-dihydro-2H-chromen-2-yl]-5-phenyl-1H-imidazole.

Molecular Properties

Compound Name2-[3-(5-methyl-1H-imidazol-2-yl)-3,4-dihydro-2H-chromen-2-yl]-5-phenyl-1H-imidazole
PubChem CID175450946
Molecular FormulaC22H20N4O
Molecular Weight356.43 g/mol
Exact Mass356.16
IUPAC Name2-[3-(5-methyl-1H-imidazol-2-yl)-3,4-dihydro-2H-chromen-2-yl]-5-phenyl-1H-imidazole
SMILESCc1cnc(C2Cc3ccccc3OC2c2ncc(-c3ccccc3)[nH]2)[nH]1
InChIInChI=1S/C22H20N4O/c1-14-12-23-21(25-14)17-11-16-9-5-6-10-19(16)27-20(17)22-24-13-18(26-22)15-7-3-2-4-8-15/h2-10,12-13,17,20H,11H2,1H3,(H,23,25)(H,24,26)
InChIKeySFXGNMALOSGPCP-UHFFFAOYSA-N
XLogP4.57
TPSA66.59 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.43
LogP ≤ 54.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-(5-phenyl-1H-imidazol-2-yl)cyclopropane-1-carboxylic acid
CID 116878958
4-(5-phenyl-1H-imidazol-2-yl)piperidine
CID 22615586
tert-butyl 3-(5-phenyl-1H-imidazol-2-yl)-3,4-dihydro-1H-isoquinoline-2-carboxylate
CID 23570724
2-methyl-4-[(5-methyl-1H-imidazol-2-yl)methyl]-3,5-dihydro-2H-1,4-benzoxazepine
CID 126464538
1-methyl-3-(5-phenyl-1H-imidazol-2-yl)piperazine
CID 116881118
N-methyl-1-(5-methyl-1,2-oxazol-3-yl)-N-[(5-phenyl-1H-imidazol-2-yl)methyl]methanamine
CID 84591303
N-cyclohexyl-N-methyl-5-phenyl-1H-imidazol-2-amine
CID 67215124
ethane;5-methyl-2-phenyl-1H-imidazole
CID 145236732
2-(5-methyl-1H-imidazol-2-yl)cyclopropane-1-carboxylic acid
CID 116878956
(3aR,9aS)-2-methyl-9,9a-dihydro-3aH-chromeno[2,3-c]pyrrole-1,3-dione
CID 101393758
1-(5-phenyl-1H-imidazol-2-yl)propan-2-amine
CID 60840875
3-(5-pyridin-3-yl-1H-imidazol-2-yl)-1,2,3,4-tetrahydroisoquinoline
CID 43651656

Frequently Asked Questions

What is the IUPAC name of 2-[3-(5-methyl-1H-imidazol-2-yl)-3,4-dihydro-2H-chromen-2-yl]-5-phenyl-1H-imidazole?
The IUPAC name of 2-[3-(5-methyl-1H-imidazol-2-yl)-3,4-dihydro-2H-chromen-2-yl]-5-phenyl-1H-imidazole (CID 175450946) is 2-[3-(5-methyl-1H-imidazol-2-yl)-3,4-dihydro-2H-chromen-2-yl]-5-phenyl-1H-imidazole.
What is the SMILES notation for 2-[3-(5-methyl-1H-imidazol-2-yl)-3,4-dihydro-2H-chromen-2-yl]-5-phenyl-1H-imidazole?
The canonical SMILES for 2-[3-(5-methyl-1H-imidazol-2-yl)-3,4-dihydro-2H-chromen-2-yl]-5-phenyl-1H-imidazole is Cc1cnc(C2Cc3ccccc3OC2c2ncc(-c3ccccc3)[nH]2)[nH]1.
What is the InChIKey of 2-[3-(5-methyl-1H-imidazol-2-yl)-3,4-dihydro-2H-chromen-2-yl]-5-phenyl-1H-imidazole?
The InChIKey is SFXGNMALOSGPCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20N4O/c1-14-12-23-21(25-14)17-11-16-9-5-6-10-19(16)27-20(17)22-24-13-18(26-22)15-7-3-2-4-8-15/h2-10,12-13,17,20H,11H2,1H3,(H,23,25)(H,24,26).
What are the key properties of 2-[3-(5-methyl-1H-imidazol-2-yl)-3,4-dihydro-2H-chromen-2-yl]-5-phenyl-1H-imidazole?
2-[3-(5-methyl-1H-imidazol-2-yl)-3,4-dihydro-2H-chromen-2-yl]-5-phenyl-1H-imidazole has a molecular weight of 356.43 g/mol, XLogP of 4.57, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(5-methyl-1H-imidazol-2-yl)-3,4-dihydro-2H-chromen-2-yl]-5-phenyl-1H-imidazole is sourced from PubChem (CID 175450946), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).