1-cyclohexyl-6-(5-methoxy-1H-pyrrolo[2,3-b]pyridin-3-yl)benzimidazole

C21H22N4O — CID 122608897

IUPAC1-cyclohexyl-6-(5-methoxy-1H-pyrrolo[2,3-b]pyridin-3-yl)benzimidazole
SMILESCOc1cnc2[nH]cc(-c3ccc4ncn(C5CCCCC5)c4c3)c2c1
InChIInChI=1S/C21H22N4O/c1-26-16-10-17-18(12-23-21(17)22-11-16)14-7-8-19-20(9-14)25(13-24-19)15-5-3-2-4-6-15/h7-13,15H,2-6H2,1H3,(H,22,23)
InChIKeyRSBIOWOBWUQTIV-UHFFFAOYSA-N
MW346.43 g/mol
LogP5.09
Rot. Bonds3

About 1-cyclohexyl-6-(5-methoxy-1H-pyrrolo[2,3-b]pyridin-3-yl)benzimidazole

1-cyclohexyl-6-(5-methoxy-1H-pyrrolo[2,3-b]pyridin-3-yl)benzimidazole (PubChem CID 122608897) has the molecular formula C21H22N4O and a molecular weight of 346.43 g/mol. Its IUPAC name is 1-cyclohexyl-6-(5-methoxy-1H-pyrrolo[2,3-b]pyridin-3-yl)benzimidazole.

Molecular Properties

Compound Name1-cyclohexyl-6-(5-methoxy-1H-pyrrolo[2,3-b]pyridin-3-yl)benzimidazole
PubChem CID122608897
Molecular FormulaC21H22N4O
Molecular Weight346.43 g/mol
Exact Mass346.18
IUPAC Name1-cyclohexyl-6-(5-methoxy-1H-pyrrolo[2,3-b]pyridin-3-yl)benzimidazole
SMILESCOc1cnc2[nH]cc(-c3ccc4ncn(C5CCCCC5)c4c3)c2c1
InChIInChI=1S/C21H22N4O/c1-26-16-10-17-18(12-23-21(17)22-11-16)14-7-8-19-20(9-14)25(13-24-19)15-5-3-2-4-6-15/h7-13,15H,2-6H2,1H3,(H,22,23)
InChIKeyRSBIOWOBWUQTIV-UHFFFAOYSA-N
XLogP5.09
TPSA55.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500346.43
LogP ≤ 55.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-methoxy-3-(3-propan-2-ylbenzimidazol-5-yl)-1H-pyrrolo[2,3-b]pyridine
CID 122608786
1-[(4-fluorophenyl)methyl]-6-(5-methoxy-1H-pyrrolo[2,3-b]pyridin-3-yl)benzimidazole
CID 122608876
5-[1-(difluoromethyl)pyrazol-4-yl]-3-(3-piperidin-3-ylbenzimidazol-5-yl)-1H-pyrrolo[2,3-b]pyridine
CID 122608740
N-[3-[3-(3-piperidin-3-ylbenzimidazol-5-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]phenyl]propane-2-sulfonamide
CID 122608763
7-(3-piperidin-3-ylbenzimidazol-5-yl)-2-(4-piperidin-1-ylphenyl)-5H-pyrrolo[2,3-b]pyrazine
CID 122608495
1-piperidin-3-yl-6-[5-[[3-(trifluoromethoxy)phenyl]sulfonylmethyl]-1H-pyrrolo[2,3-b]pyridin-3-yl]benzimidazole
CID 148801705
8-(3-cyclohexylbenzimidazol-5-yl)imidazo[1,2-a]pyrazine
CID 155812064
1-tert-butyl-6-(5-ethynyl-1H-pyrrolo[2,3-b]pyridin-3-yl)benzimidazole
CID 122608917
1-methyl-6-[5-[3-(trifluoromethoxy)phenyl]-1H-pyrrolo[2,3-b]pyridin-3-yl]benzimidazole
CID 122608789
2-(2-piperazin-1-yl-4-pyridinyl)-7-(3-piperidin-3-ylbenzimidazol-5-yl)-5H-pyrrolo[2,3-b]pyrazine
CID 122670217
2-[4-[7-(3-piperidin-3-ylbenzimidazol-5-yl)-5H-pyrrolo[2,3-b]pyrazin-2-yl]-2-pyridinyl]-1,2-thiazolidine 1,1-dioxide
CID 122670212
1-cyclopentyl-5,6-dimethylbenzimidazole
CID 115900464

Frequently Asked Questions

What is the IUPAC name of 1-cyclohexyl-6-(5-methoxy-1H-pyrrolo[2,3-b]pyridin-3-yl)benzimidazole?
The IUPAC name of 1-cyclohexyl-6-(5-methoxy-1H-pyrrolo[2,3-b]pyridin-3-yl)benzimidazole (CID 122608897) is 1-cyclohexyl-6-(5-methoxy-1H-pyrrolo[2,3-b]pyridin-3-yl)benzimidazole.
What is the SMILES notation for 1-cyclohexyl-6-(5-methoxy-1H-pyrrolo[2,3-b]pyridin-3-yl)benzimidazole?
The canonical SMILES for 1-cyclohexyl-6-(5-methoxy-1H-pyrrolo[2,3-b]pyridin-3-yl)benzimidazole is COc1cnc2[nH]cc(-c3ccc4ncn(C5CCCCC5)c4c3)c2c1.
What is the InChIKey of 1-cyclohexyl-6-(5-methoxy-1H-pyrrolo[2,3-b]pyridin-3-yl)benzimidazole?
The InChIKey is RSBIOWOBWUQTIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22N4O/c1-26-16-10-17-18(12-23-21(17)22-11-16)14-7-8-19-20(9-14)25(13-24-19)15-5-3-2-4-6-15/h7-13,15H,2-6H2,1H3,(H,22,23).
What are the key properties of 1-cyclohexyl-6-(5-methoxy-1H-pyrrolo[2,3-b]pyridin-3-yl)benzimidazole?
1-cyclohexyl-6-(5-methoxy-1H-pyrrolo[2,3-b]pyridin-3-yl)benzimidazole has a molecular weight of 346.43 g/mol, XLogP of 5.09, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclohexyl-6-(5-methoxy-1H-pyrrolo[2,3-b]pyridin-3-yl)benzimidazole is sourced from PubChem (CID 122608897), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).