7-(3H-benzimidazol-5-yl)-5H-pyrido[3,2-b]indole

C18H12N4 — CID 155384571

IUPAC7-(3H-benzimidazol-5-yl)-5H-pyrido[3,2-b]indole
SMILESc1cnc2c(c1)[nH]c1cc(-c3ccc4nc[nH]c4c3)ccc12
InChIInChI=1S/C18H12N4/c1-2-15-18(19-7-1)13-5-3-11(8-16(13)22-15)12-4-6-14-17(9-12)21-10-20-14/h1-10,22H,(H,20,21)
InChIKeyMZRVDVBEBSJHNW-UHFFFAOYSA-N
MW284.32 g/mol
LogP4.26
Rot. Bonds1

About 7-(3H-benzimidazol-5-yl)-5H-pyrido[3,2-b]indole

7-(3H-benzimidazol-5-yl)-5H-pyrido[3,2-b]indole (PubChem CID 155384571) has the molecular formula C18H12N4 and a molecular weight of 284.32 g/mol. Its IUPAC name is 7-(3H-benzimidazol-5-yl)-5H-pyrido[3,2-b]indole.

Molecular Properties

Compound Name7-(3H-benzimidazol-5-yl)-5H-pyrido[3,2-b]indole
PubChem CID155384571
Molecular FormulaC18H12N4
Molecular Weight284.32 g/mol
Exact Mass284.11
IUPAC Name7-(3H-benzimidazol-5-yl)-5H-pyrido[3,2-b]indole
SMILESc1cnc2c(c1)[nH]c1cc(-c3ccc4nc[nH]c4c3)ccc12
InChIInChI=1S/C18H12N4/c1-2-15-18(19-7-1)13-5-3-11(8-16(13)22-15)12-4-6-14-17(9-12)21-10-20-14/h1-10,22H,(H,20,21)
InChIKeyMZRVDVBEBSJHNW-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

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CID 11508555
5H-pyrido[3,2-b]indole-7-carbonitrile
CID 91665984
6-(2-methoxy-3-pyridinyl)-1H-benzimidazole
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6-[2-(3-methylphenyl)-3-pyridinyl]-1H-benzimidazole
CID 90095154
2-(3H-benzimidazol-5-yl)phenol
CID 162260962
4-(3H-benzimidazol-5-yl)-1H-pyridin-2-one
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6-[4-(5-methylthiophen-3-yl)phenyl]-1H-benzimidazole
CID 175227051
5H-pyrido[3,2-b]indol-8-ol
CID 10511693
4-(3H-benzimidazol-5-yl)-3H-1,3-thiazol-2-one
CID 116966111
6-(4-methylsulfonylphenyl)-1H-benzimidazole
CID 39830614
CID 59909636
CID 59909636
5-dibenzofuran-3-yl-3,8,13-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene
CID 137392078

Frequently Asked Questions

What is the IUPAC name of 7-(3H-benzimidazol-5-yl)-5H-pyrido[3,2-b]indole?
The IUPAC name of 7-(3H-benzimidazol-5-yl)-5H-pyrido[3,2-b]indole (CID 155384571) is 7-(3H-benzimidazol-5-yl)-5H-pyrido[3,2-b]indole.
What is the SMILES notation for 7-(3H-benzimidazol-5-yl)-5H-pyrido[3,2-b]indole?
The canonical SMILES for 7-(3H-benzimidazol-5-yl)-5H-pyrido[3,2-b]indole is c1cnc2c(c1)[nH]c1cc(-c3ccc4nc[nH]c4c3)ccc12.
What is the InChIKey of 7-(3H-benzimidazol-5-yl)-5H-pyrido[3,2-b]indole?
The InChIKey is MZRVDVBEBSJHNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H12N4/c1-2-15-18(19-7-1)13-5-3-11(8-16(13)22-15)12-4-6-14-17(9-12)21-10-20-14/h1-10,22H,(H,20,21).
What are the key properties of 7-(3H-benzimidazol-5-yl)-5H-pyrido[3,2-b]indole?
7-(3H-benzimidazol-5-yl)-5H-pyrido[3,2-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 7-(3H-benzimidazol-5-yl)-5H-pyrido[3,2-b]indole is sourced from PubChem (CID 155384571), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).