4-[(5-{[5-(naphthalen-1-yl)-1H-indol-1-yl]methyl}-1H-imidazol-1-yl)methyl]benzonitrile

C30H22N4 — CID 23646778

IUPAC4-[[5-[(5-naphthalen-1-ylindol-1-yl)methyl]imidazol-1-yl]methyl]benzonitrile
SMILESC1=CC=C2C(=C1)C=CC=C2C3=CC4=C(C=C3)N(C=C4)CC5=CN=CN5CC6=CC=C(C=C6)C#N
InChIInChI=1S/C30H22N4/c31-17-22-8-10-23(11-9-22)19-34-21-32-18-27(34)20-33-15-14-26-16-25(12-13-30(26)33)29-7-3-5-24-4-1-2-6-28(24)29/h1-16,18,21H,19-20H2
InChIKeyGMRZSXNEOIVFAA-UHFFFAOYSA-N
MW438.50 g/mol
LogP5.90
Rot. Bonds5

About 4-[(5-{[5-(naphthalen-1-yl)-1H-indol-1-yl]methyl}-1H-imidazol-1-yl)methyl]benzonitrile

4-[(5-{[5-(naphthalen-1-yl)-1H-indol-1-yl]methyl}-1H-imidazol-1-yl)methyl]benzonitrile (PubChem CID 23646778) has the molecular formula C30H22N4 and a molecular weight of 438.50 g/mol. Its IUPAC name is 4-[[5-[(5-naphthalen-1-ylindol-1-yl)methyl]imidazol-1-yl]methyl]benzonitrile.

Molecular Properties

Compound Name4-[(5-{[5-(naphthalen-1-yl)-1H-indol-1-yl]methyl}-1H-imidazol-1-yl)methyl]benzonitrile
PubChem CID23646778
Molecular FormulaC30H22N4
Molecular Weight438.50 g/mol
Exact Mass438.18
IUPAC Name4-[[5-[(5-naphthalen-1-ylindol-1-yl)methyl]imidazol-1-yl]methyl]benzonitrile
SMILESC1=CC=C2C(=C1)C=CC=C2C3=CC4=C(C=C3)N(C=C4)CC5=CN=CN5CC6=CC=C(C=C6)C#N
InChIInChI=1S/C30H22N4/c31-17-22-8-10-23(11-9-22)19-34-21-32-18-27(34)20-33-15-14-26-16-25(12-13-30(26)33)29-7-3-5-24-4-1-2-6-28(24)29/h1-16,18,21H,19-20H2
InChIKeyGMRZSXNEOIVFAA-UHFFFAOYSA-N
XLogP5.90
TPSA46.50 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms34
Complexity721

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500438.50
LogP ≤ 55.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

4-[(3-Cyano-benzyl)-(3-methyl-3H-imidazol-4-ylmethyl)-amino]-2-naphthalen-1-YL-benzonitrile
CID 447390
4-[[9-[4-[(E)-2-cyanovinyl]-2,6-dimethyl-phenyl]purin-2-yl]amino]benzonitrile
CID 16074499
1-({1-[(4-cyanophenyl)methyl]-1H-imidazol-5-yl}methyl)-5-(naphthalen-1-yl)-1H-indole-4-carbonitrile
CID 11408635
1-({1-[(4-cyanophenyl)methyl]-1H-imidazol-5-yl}methyl)-4-(naphthalen-1-yl)-1H-pyrrole-3-carbonitrile
CID 23646776
1-Ethyl-3-imidazol-1-ylmethyl-1H-indole
CID 10331244
3-(7-Methylimidazo[1,2-a]pyrimidin-3-yl)biphenyl-2-carbonitrile
CID 9839679
1-[(4-Cyano-phenyl)-(3-methyl-3H-imidazol-4-yl)-methyl]-5-naphthalen-1-yl-1,2,3,6-tetrahydro-pyridine-4-carbonitrile
CID 44277534
5-[(3-Cyano-benzyl)-(3-methyl-3H-imidazol-4-ylmethyl)-amino]-2''-methyl-biphenyl-2-carbonitrile
CID 44278126
5-(1-Naphthylmethyl)-2-phenyl-imidazo[4,5-c]pyridine
CID 10427080
6-Imidazol-1-ylmethyl-8-phenyl-quinoline
CID 10565073
1-Ethyl-5-(imidazol-1-yl-phenyl-methyl)-1H-indole
CID 44341253
6-(4-{[4-(2-methyl-1H-1,3-benzodiazol-1-yl)piperidin-1-yl]methyl}phenyl)-5-phenylpyridine-3-carbonitrile
CID 11260243

Frequently Asked Questions

What is the IUPAC name of 4-[(5-{[5-(naphthalen-1-yl)-1H-indol-1-yl]methyl}-1H-imidazol-1-yl)methyl]benzonitrile?
The IUPAC name of 4-[(5-{[5-(naphthalen-1-yl)-1H-indol-1-yl]methyl}-1H-imidazol-1-yl)methyl]benzonitrile (CID 23646778) is 4-[[5-[(5-naphthalen-1-ylindol-1-yl)methyl]imidazol-1-yl]methyl]benzonitrile.
What is the SMILES notation for 4-[(5-{[5-(naphthalen-1-yl)-1H-indol-1-yl]methyl}-1H-imidazol-1-yl)methyl]benzonitrile?
The canonical SMILES for 4-[(5-{[5-(naphthalen-1-yl)-1H-indol-1-yl]methyl}-1H-imidazol-1-yl)methyl]benzonitrile is C1=CC=C2C(=C1)C=CC=C2C3=CC4=C(C=C3)N(C=C4)CC5=CN=CN5CC6=CC=C(C=C6)C#N.
What is the InChIKey of 4-[(5-{[5-(naphthalen-1-yl)-1H-indol-1-yl]methyl}-1H-imidazol-1-yl)methyl]benzonitrile?
The InChIKey is GMRZSXNEOIVFAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H22N4/c31-17-22-8-10-23(11-9-22)19-34-21-32-18-27(34)20-33-15-14-26-16-25(12-13-30(26)33)29-7-3-5-24-4-1-2-6-28(24)29/h1-16,18,21H,19-20H2.
What are the key properties of 4-[(5-{[5-(naphthalen-1-yl)-1H-indol-1-yl]methyl}-1H-imidazol-1-yl)methyl]benzonitrile?
4-[(5-{[5-(naphthalen-1-yl)-1H-indol-1-yl]methyl}-1H-imidazol-1-yl)methyl]benzonitrile has a molecular weight of 438.50 g/mol, XLogP of 5.90, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(5-{[5-(naphthalen-1-yl)-1H-indol-1-yl]methyl}-1H-imidazol-1-yl)methyl]benzonitrile is sourced from PubChem (CID 23646778), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).