5-pyridin-4-yl-2-(2-pyridin-4-yl-3H-benzimidazol-5-yl)-6H-thieno[3,2-b]pyrrole

C23H15N5S — CID 154392942

IUPAC5-pyridin-4-yl-2-(2-pyridin-4-yl-3H-benzimidazol-5-yl)-6H-thieno[3,2-b]pyrrole
SMILESc1cc(C2=Nc3cc(-c4ccc5nc(-c6ccncc6)[nH]c5c4)sc3C2)ccn1
InChIInChI=1S/C23H15N5S/c1-2-17-19(28-23(27-17)15-5-9-25-10-6-15)11-16(1)21-13-20-22(29-21)12-18(26-20)14-3-7-24-8-4-14/h1-11,13H,12H2,(H,27,28)
InChIKeyKWZBCOYNRPQBSN-UHFFFAOYSA-N
MW393.48 g/mol
LogP5.43
Rot. Bonds3

About 5-pyridin-4-yl-2-(2-pyridin-4-yl-3H-benzimidazol-5-yl)-6H-thieno[3,2-b]pyrrole

5-pyridin-4-yl-2-(2-pyridin-4-yl-3H-benzimidazol-5-yl)-6H-thieno[3,2-b]pyrrole (PubChem CID 154392942) has the molecular formula C23H15N5S and a molecular weight of 393.48 g/mol. Its IUPAC name is 5-pyridin-4-yl-2-(2-pyridin-4-yl-3H-benzimidazol-5-yl)-6H-thieno[3,2-b]pyrrole.

Molecular Properties

Compound Name5-pyridin-4-yl-2-(2-pyridin-4-yl-3H-benzimidazol-5-yl)-6H-thieno[3,2-b]pyrrole
PubChem CID154392942
Molecular FormulaC23H15N5S
Molecular Weight393.48 g/mol
Exact Mass393.10
IUPAC Name5-pyridin-4-yl-2-(2-pyridin-4-yl-3H-benzimidazol-5-yl)-6H-thieno[3,2-b]pyrrole
SMILESc1cc(C2=Nc3cc(-c4ccc5nc(-c6ccncc6)[nH]c5c4)sc3C2)ccn1
InChIInChI=1S/C23H15N5S/c1-2-17-19(28-23(27-17)15-5-9-25-10-6-15)11-16(1)21-13-20-22(29-21)12-18(26-20)14-3-7-24-8-4-14/h1-11,13H,12H2,(H,27,28)
InChIKeyKWZBCOYNRPQBSN-UHFFFAOYSA-N
XLogP5.43
TPSA66.82 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500393.48
LogP ≤ 55.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-pyridin-4-yl-3H-benzimidazole-5-carboxylic acid
CID 2771800
2-pyridin-4-yl-6-(2-pyridin-4-yl-3H-benzimidazol-5-yl)imidazo[1,2-a]pyridine
CID 54674924
N-pyridin-4-yl-5-(2-pyridin-4-yl-3H-benzimidazol-5-yl)pyrimidin-2-amine
CID 56642084
2-[4-(pyridin-2-ylmethoxy)phenyl]-6-[2-[4-(pyridin-2-ylmethoxy)phenyl]-3H-indol-6-yl]-1H-benzimidazole
CID 157278026
3-[4-[6-[2-[4-[3-(dimethylamino)propylsulfanyl]phenyl]-3H-benzimidazol-5-yl]-3H-indol-2-yl]phenyl]sulfanyl-N,N-dimethylpropan-1-amine
CID 158725445
6-ethoxy-2-pyridin-4-yl-1H-benzimidazole
CID 12855474
4-[6-[2-(4-carboxyphenyl)-3H-benzimidazol-5-yl]-1H-benzimidazol-2-yl]benzoic acid
CID 1211927
4-(3,4-diaminophenyl)benzene-1,2-diamine;4-nitrobenzoic acid;2-(4-nitrophenyl)-6-[2-(4-nitrophenyl)-3H-indol-6-yl]-1H-benzimidazole
CID 159007170
6-methyl-2-[4-(6-methyl-1H-benzimidazol-2-yl)phenyl]-1H-benzimidazole
CID 20689909
2-[4-[(1-methylpiperidin-4-yl)methoxy]phenyl]-6-[2-[4-[(1-methylpiperidin-4-yl)methoxy]phenyl]-3H-indol-6-yl]-1H-benzimidazole
CID 159401403
2-[4-[4-(6-amino-1H-benzimidazol-2-yl)phenyl]phenyl]-3H-benzimidazol-5-amine
CID 3091495
5-chloro-N-(2-pyridin-4-yl-3H-benzimidazol-5-yl)thiophene-2-carboxamide
CID 166322657

Frequently Asked Questions

What is the IUPAC name of 5-pyridin-4-yl-2-(2-pyridin-4-yl-3H-benzimidazol-5-yl)-6H-thieno[3,2-b]pyrrole?
The IUPAC name of 5-pyridin-4-yl-2-(2-pyridin-4-yl-3H-benzimidazol-5-yl)-6H-thieno[3,2-b]pyrrole (CID 154392942) is 5-pyridin-4-yl-2-(2-pyridin-4-yl-3H-benzimidazol-5-yl)-6H-thieno[3,2-b]pyrrole.
What is the SMILES notation for 5-pyridin-4-yl-2-(2-pyridin-4-yl-3H-benzimidazol-5-yl)-6H-thieno[3,2-b]pyrrole?
The canonical SMILES for 5-pyridin-4-yl-2-(2-pyridin-4-yl-3H-benzimidazol-5-yl)-6H-thieno[3,2-b]pyrrole is c1cc(C2=Nc3cc(-c4ccc5nc(-c6ccncc6)[nH]c5c4)sc3C2)ccn1.
What is the InChIKey of 5-pyridin-4-yl-2-(2-pyridin-4-yl-3H-benzimidazol-5-yl)-6H-thieno[3,2-b]pyrrole?
The InChIKey is KWZBCOYNRPQBSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H15N5S/c1-2-17-19(28-23(27-17)15-5-9-25-10-6-15)11-16(1)21-13-20-22(29-21)12-18(26-20)14-3-7-24-8-4-14/h1-11,13H,12H2,(H,27,28).
What are the key properties of 5-pyridin-4-yl-2-(2-pyridin-4-yl-3H-benzimidazol-5-yl)-6H-thieno[3,2-b]pyrrole?
5-pyridin-4-yl-2-(2-pyridin-4-yl-3H-benzimidazol-5-yl)-6H-thieno[3,2-b]pyrrole has a molecular weight of 393.48 g/mol, XLogP of 5.43, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-pyridin-4-yl-2-(2-pyridin-4-yl-3H-benzimidazol-5-yl)-6H-thieno[3,2-b]pyrrole is sourced from PubChem (CID 154392942), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).