4-(3-methyl-2H-imidazol-1-yl)-9-phenylpyrido[3,4-b]indole

C21H18N4 — CID 140810245

IUPAC4-(3-methyl-2H-imidazol-1-yl)-9-phenylpyrido[3,4-b]indole
SMILESCN1C=CN(c2cncc3c2c2ccccc2n3-c2ccccc2)C1
InChIInChI=1S/C21H18N4/c1-23-11-12-24(15-23)19-13-22-14-20-21(19)17-9-5-6-10-18(17)25(20)16-7-3-2-4-8-16/h2-14H,15H2,1H3
InChIKeyWICFAYRAKRKBHK-UHFFFAOYSA-N
MW326.40 g/mol
LogP4.36
Rot. Bonds2

About 4-(3-methyl-2H-imidazol-1-yl)-9-phenylpyrido[3,4-b]indole

4-(3-methyl-2H-imidazol-1-yl)-9-phenylpyrido[3,4-b]indole (PubChem CID 140810245) has the molecular formula C21H18N4 and a molecular weight of 326.40 g/mol. Its IUPAC name is 4-(3-methyl-2H-imidazol-1-yl)-9-phenylpyrido[3,4-b]indole.

Molecular Properties

Compound Name4-(3-methyl-2H-imidazol-1-yl)-9-phenylpyrido[3,4-b]indole
PubChem CID140810245
Molecular FormulaC21H18N4
Molecular Weight326.40 g/mol
Exact Mass326.15
IUPAC Name4-(3-methyl-2H-imidazol-1-yl)-9-phenylpyrido[3,4-b]indole
SMILESCN1C=CN(c2cncc3c2c2ccccc2n3-c2ccccc2)C1
InChIInChI=1S/C21H18N4/c1-23-11-12-24(15-23)19-13-22-14-20-21(19)17-9-5-6-10-18(17)25(20)16-7-3-2-4-8-16/h2-14H,15H2,1H3
InChIKeyWICFAYRAKRKBHK-UHFFFAOYSA-N
XLogP4.36
TPSA24.30 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.40
LogP ≤ 54.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-(3-methyl-2H-imidazol-1-yl)-9-phenylcarbazole
CID 59844789
9-phenyl-14-[10-(14-phenyl-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaen-9-yl)anthracen-9-yl]-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene
CID 170394033
10-(3-methyl-2H-imidazol-1-yl)-7-phenyl-[1]benzofuro[2,3-b]carbazole
CID 130457964
9-phenyl-4-[9-(4-phenylphenyl)carbazol-1-yl]pyrido[3,4-b]indole
CID 118587512
9-phenyl-3-[5-(9-phenylcarbazol-3-yl)-3-pyridinyl]carbazole
CID 141339083
9-phenylcarbazole;pyridine
CID 158880805
ethane;9-methylcarbazole;9-phenylcarbazole
CID 159293304
(9-phenylcarbazol-4-yl)boronic acid
CID 90057429
9-phenyl-4-pyrrol-1-ylcarbazole
CID 168863070
3-(3-methyl-2H-imidazol-1-yl)-1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2(7),3,5,8,10,12(19),13,15,17-nonaene
CID 164795836
ethane;(9-phenylcarbazol-4-yl)boronic acid
CID 178110282
5-(3-azatetracyclo[7.6.1.05,16.010,15]hexadeca-1,3,5,7,9(16),10,12,14-octaen-6-yl)-2-(9-phenylcarbazol-3-yl)benzo[b]carbazole
CID 130326392

Frequently Asked Questions

What is the IUPAC name of 4-(3-methyl-2H-imidazol-1-yl)-9-phenylpyrido[3,4-b]indole?
The IUPAC name of 4-(3-methyl-2H-imidazol-1-yl)-9-phenylpyrido[3,4-b]indole (CID 140810245) is 4-(3-methyl-2H-imidazol-1-yl)-9-phenylpyrido[3,4-b]indole.
What is the SMILES notation for 4-(3-methyl-2H-imidazol-1-yl)-9-phenylpyrido[3,4-b]indole?
The canonical SMILES for 4-(3-methyl-2H-imidazol-1-yl)-9-phenylpyrido[3,4-b]indole is CN1C=CN(c2cncc3c2c2ccccc2n3-c2ccccc2)C1.
What is the InChIKey of 4-(3-methyl-2H-imidazol-1-yl)-9-phenylpyrido[3,4-b]indole?
The InChIKey is WICFAYRAKRKBHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18N4/c1-23-11-12-24(15-23)19-13-22-14-20-21(19)17-9-5-6-10-18(17)25(20)16-7-3-2-4-8-16/h2-14H,15H2,1H3.
What are the key properties of 4-(3-methyl-2H-imidazol-1-yl)-9-phenylpyrido[3,4-b]indole?
4-(3-methyl-2H-imidazol-1-yl)-9-phenylpyrido[3,4-b]indole has a molecular weight of 326.40 g/mol, XLogP of 4.36, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-methyl-2H-imidazol-1-yl)-9-phenylpyrido[3,4-b]indole is sourced from PubChem (CID 140810245), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).