1-(1H-benzimidazol-2-yl)-9H-pyrido[3,4-b]indole

C18H12N4 — CID 132601824

IUPAC1-(1H-benzimidazol-2-yl)-9H-pyrido[3,4-b]indole
SMILESc1ccc2[nH]c(-c3nccc4c3[nH]c3ccccc34)nc2c1
InChIInChI=1S/C18H12N4/c1-2-6-13-11(5-1)12-9-10-19-17(16(12)20-13)18-21-14-7-3-4-8-15(14)22-18/h1-10,20H,(H,21,22)
InChIKeyDBOQOMMRMLBJII-UHFFFAOYSA-N
MW284.32 g/mol
LogP4.26
Rot. Bonds1

About 1-(1H-benzimidazol-2-yl)-9H-pyrido[3,4-b]indole

1-(1H-benzimidazol-2-yl)-9H-pyrido[3,4-b]indole (PubChem CID 132601824) has the molecular formula C18H12N4 and a molecular weight of 284.32 g/mol. Its IUPAC name is 1-(1H-benzimidazol-2-yl)-9H-pyrido[3,4-b]indole.

Molecular Properties

Compound Name1-(1H-benzimidazol-2-yl)-9H-pyrido[3,4-b]indole
PubChem CID132601824
Molecular FormulaC18H12N4
Molecular Weight284.32 g/mol
Exact Mass284.11
IUPAC Name1-(1H-benzimidazol-2-yl)-9H-pyrido[3,4-b]indole
SMILESc1ccc2[nH]c(-c3nccc4c3[nH]c3ccccc34)nc2c1
InChIInChI=1S/C18H12N4/c1-2-6-13-11(5-1)12-9-10-19-17(16(12)20-13)18-21-14-7-3-4-8-15(14)22-18/h1-10,20H,(H,21,22)
InChIKeyDBOQOMMRMLBJII-UHFFFAOYSA-N
XLogP4.26
TPSA57.36 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.32
LogP ≤ 54.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

bis(1-(1H-benzimidazol-2-yl)-9H-pyrido[3,4-b]indole);propan-2-one
CID 139046282
4-(9H-pyrido[3,4-b]indol-1-yl)pyrimidin-2-amine
CID 5257090
1-(2-methylphenyl)-9H-pyrido[3,4-b]indole
CID 134147548
1-naphthalen-2-yl-9H-pyrido[3,4-b]indole
CID 91398719
1-pyrimidin-5-yl-9H-pyrido[3,4-b]indole
CID 175790323
1-(9H-pyrido[3,4-b]indol-3-yl)-9H-pyrido[3,4-b]indole
CID 70800060
3-(9H-pyrido[3,4-b]indol-1-yl)phenol
CID 46244084
1-(2-propan-2-ylphenyl)-9H-pyrido[3,4-b]indole
CID 150354253
2-[4-[4-(1H-benzimidazol-2-yl)phenyl]phenyl]-1H-benzimidazole
CID 12522580
1-(3,5-dimethoxyphenyl)-9H-pyrido[3,4-b]indole
CID 71740737
1-(trideuteriomethyl)-9H-pyrido[3,4-b]indole
CID 46781679
2-phenyl-1H-benzimidazole;zirconium(4+);tetrachloride
CID 173061121

Frequently Asked Questions

What is the IUPAC name of 1-(1H-benzimidazol-2-yl)-9H-pyrido[3,4-b]indole?
The IUPAC name of 1-(1H-benzimidazol-2-yl)-9H-pyrido[3,4-b]indole (CID 132601824) is 1-(1H-benzimidazol-2-yl)-9H-pyrido[3,4-b]indole.
What is the SMILES notation for 1-(1H-benzimidazol-2-yl)-9H-pyrido[3,4-b]indole?
The canonical SMILES for 1-(1H-benzimidazol-2-yl)-9H-pyrido[3,4-b]indole is c1ccc2[nH]c(-c3nccc4c3[nH]c3ccccc34)nc2c1.
What is the InChIKey of 1-(1H-benzimidazol-2-yl)-9H-pyrido[3,4-b]indole?
The InChIKey is DBOQOMMRMLBJII-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H12N4/c1-2-6-13-11(5-1)12-9-10-19-17(16(12)20-13)18-21-14-7-3-4-8-15(14)22-18/h1-10,20H,(H,21,22).
What are the key properties of 1-(1H-benzimidazol-2-yl)-9H-pyrido[3,4-b]indole?
1-(1H-benzimidazol-2-yl)-9H-pyrido[3,4-b]indole has a molecular weight of 284.32 g/mol, XLogP of 4.26, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1H-benzimidazol-2-yl)-9H-pyrido[3,4-b]indole is sourced from PubChem (CID 132601824), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).