(3R)-3-[[5-(1H-imidazol-2-yl)-4-phenylimidazol-1-yl]methyl]-2-methyl-3,4-dihydro-1H-isoquinoline

C23H23N5 — CID 95221780

IUPAC(3R)-3-[[5-(1H-imidazol-2-yl)-4-phenylimidazol-1-yl]methyl]-2-methyl-3,4-dihydro-1H-isoquinoline
SMILESCN1Cc2ccccc2C[C@@H]1Cn1cnc(-c2ccccc2)c1-c1ncc[nH]1
InChIInChI=1S/C23H23N5/c1-27-14-19-10-6-5-9-18(19)13-20(27)15-28-16-26-21(17-7-3-2-4-8-17)22(28)23-24-11-12-25-23/h2-12,16,20H,13-15H2,1H3,(H,24,25)/t20-/m1/s1
InChIKeyAASNUTUXJRGCHC-HXUWFJFHSA-N
MW369.47 g/mol
LogP4.00
Rot. Bonds4

About (3R)-3-[[5-(1H-imidazol-2-yl)-4-phenylimidazol-1-yl]methyl]-2-methyl-3,4-dihydro-1H-isoquinoline

(3R)-3-[[5-(1H-imidazol-2-yl)-4-phenylimidazol-1-yl]methyl]-2-methyl-3,4-dihydro-1H-isoquinoline (PubChem CID 95221780) has the molecular formula C23H23N5 and a molecular weight of 369.47 g/mol. Its IUPAC name is (3R)-3-[[5-(1H-imidazol-2-yl)-4-phenylimidazol-1-yl]methyl]-2-methyl-3,4-dihydro-1H-isoquinoline.

Molecular Properties

Compound Name(3R)-3-[[5-(1H-imidazol-2-yl)-4-phenylimidazol-1-yl]methyl]-2-methyl-3,4-dihydro-1H-isoquinoline
PubChem CID95221780
Molecular FormulaC23H23N5
Molecular Weight369.47 g/mol
Exact Mass369.20
IUPAC Name(3R)-3-[[5-(1H-imidazol-2-yl)-4-phenylimidazol-1-yl]methyl]-2-methyl-3,4-dihydro-1H-isoquinoline
SMILESCN1Cc2ccccc2C[C@@H]1Cn1cnc(-c2ccccc2)c1-c1ncc[nH]1
InChIInChI=1S/C23H23N5/c1-27-14-19-10-6-5-9-18(19)13-20(27)15-28-16-26-21(17-7-3-2-4-8-17)22(28)23-24-11-12-25-23/h2-12,16,20H,13-15H2,1H3,(H,24,25)/t20-/m1/s1
InChIKeyAASNUTUXJRGCHC-HXUWFJFHSA-N
XLogP4.00
TPSA49.74 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.47
LogP ≤ 54.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze (3R)-3-[[5-(1H-imidazol-2-yl)-4-phenylimidazol-1-yl]methyl]-2-methyl-3,4-dihydro-1H-isoquinoline with MolForge

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Related Compounds

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CID 447721
Ngd 94-1
CID 188942
VK-19911
CID 9797240
FR-79620
CID 10421577
Arpromidine
CID 65895
BN-81,644
CID 9802572
(8S)-N-methyl-N-[[4-(4-methylpiperazin-1-yl)-1H-benzimidazol-2-yl]methyl]-5,6,7,8-tetrahydroquinolin-8-amine
CID 11610819
2,4-Diphenylimidazole
CID 296732
Eapb-0203
CID 24779760
n-(2-(1h-Indol-3-yl)ethyl)-9-isopropyl-2-(5-methylpyridin-3-yl)-9h-purin-6-amine
CID 46216378
2,4-Disubstituted Pyrimidine 2b
CID 5329415

Frequently Asked Questions

What is the IUPAC name of (3R)-3-[[5-(1H-imidazol-2-yl)-4-phenylimidazol-1-yl]methyl]-2-methyl-3,4-dihydro-1H-isoquinoline?
The IUPAC name of (3R)-3-[[5-(1H-imidazol-2-yl)-4-phenylimidazol-1-yl]methyl]-2-methyl-3,4-dihydro-1H-isoquinoline (CID 95221780) is (3R)-3-[[5-(1H-imidazol-2-yl)-4-phenylimidazol-1-yl]methyl]-2-methyl-3,4-dihydro-1H-isoquinoline.
What is the SMILES notation for (3R)-3-[[5-(1H-imidazol-2-yl)-4-phenylimidazol-1-yl]methyl]-2-methyl-3,4-dihydro-1H-isoquinoline?
The canonical SMILES for (3R)-3-[[5-(1H-imidazol-2-yl)-4-phenylimidazol-1-yl]methyl]-2-methyl-3,4-dihydro-1H-isoquinoline is CN1Cc2ccccc2C[C@@H]1Cn1cnc(-c2ccccc2)c1-c1ncc[nH]1.
What is the InChIKey of (3R)-3-[[5-(1H-imidazol-2-yl)-4-phenylimidazol-1-yl]methyl]-2-methyl-3,4-dihydro-1H-isoquinoline?
The InChIKey is AASNUTUXJRGCHC-HXUWFJFHSA-N. The full InChI is InChI=1S/C23H23N5/c1-27-14-19-10-6-5-9-18(19)13-20(27)15-28-16-26-21(17-7-3-2-4-8-17)22(28)23-24-11-12-25-23/h2-12,16,20H,13-15H2,1H3,(H,24,25)/t20-/m1/s1.
What are the key properties of (3R)-3-[[5-(1H-imidazol-2-yl)-4-phenylimidazol-1-yl]methyl]-2-methyl-3,4-dihydro-1H-isoquinoline?
(3R)-3-[[5-(1H-imidazol-2-yl)-4-phenylimidazol-1-yl]methyl]-2-methyl-3,4-dihydro-1H-isoquinoline has a molecular weight of 369.47 g/mol, XLogP of 4.00, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-3-[[5-(1H-imidazol-2-yl)-4-phenylimidazol-1-yl]methyl]-2-methyl-3,4-dihydro-1H-isoquinoline is sourced from PubChem (CID 95221780), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).