1-[(4-fluorophenyl)methyl]-6-(5-methoxy-1H-pyrrolo[2,3-b]pyridin-3-yl)benzimidazole

C22H17FN4O — CID 122608876

IUPAC1-[(4-fluorophenyl)methyl]-6-(5-methoxy-1H-pyrrolo[2,3-b]pyridin-3-yl)benzimidazole
SMILESCOc1cnc2[nH]cc(-c3ccc4ncn(Cc5ccc(F)cc5)c4c3)c2c1
InChIInChI=1S/C22H17FN4O/c1-28-17-9-18-19(11-25-22(18)24-10-17)15-4-7-20-21(8-15)27(13-26-20)12-14-2-5-16(23)6-3-14/h2-11,13H,12H2,1H3,(H,24,25)
InChIKeyADTREPKTTJZDPI-UHFFFAOYSA-N
MW372.40 g/mol
LogP4.78
Rot. Bonds4

About 1-[(4-fluorophenyl)methyl]-6-(5-methoxy-1H-pyrrolo[2,3-b]pyridin-3-yl)benzimidazole

1-[(4-fluorophenyl)methyl]-6-(5-methoxy-1H-pyrrolo[2,3-b]pyridin-3-yl)benzimidazole (PubChem CID 122608876) has the molecular formula C22H17FN4O and a molecular weight of 372.40 g/mol. Its IUPAC name is 1-[(4-fluorophenyl)methyl]-6-(5-methoxy-1H-pyrrolo[2,3-b]pyridin-3-yl)benzimidazole.

Molecular Properties

Compound Name1-[(4-fluorophenyl)methyl]-6-(5-methoxy-1H-pyrrolo[2,3-b]pyridin-3-yl)benzimidazole
PubChem CID122608876
Molecular FormulaC22H17FN4O
Molecular Weight372.40 g/mol
Exact Mass372.14
IUPAC Name1-[(4-fluorophenyl)methyl]-6-(5-methoxy-1H-pyrrolo[2,3-b]pyridin-3-yl)benzimidazole
SMILESCOc1cnc2[nH]cc(-c3ccc4ncn(Cc5ccc(F)cc5)c4c3)c2c1
InChIInChI=1S/C22H17FN4O/c1-28-17-9-18-19(11-25-22(18)24-10-17)15-4-7-20-21(8-15)27(13-26-20)12-14-2-5-16(23)6-3-14/h2-11,13H,12H2,1H3,(H,24,25)
InChIKeyADTREPKTTJZDPI-UHFFFAOYSA-N
XLogP4.78
TPSA55.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.40
LogP ≤ 54.78
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-cyclohexyl-6-(5-methoxy-1H-pyrrolo[2,3-b]pyridin-3-yl)benzimidazole
CID 122608897
1-methyl-6-[5-[3-(trifluoromethoxy)phenyl]-1H-pyrrolo[2,3-b]pyridin-3-yl]benzimidazole
CID 122608789
4-[(6-methoxybenzimidazol-1-yl)methyl]benzoic acid
CID 100986935
7-fluoro-3-[(4-methoxyphenyl)methyl]quinazolin-4-one
CID 118722436
6-(5-chloro-2-fluoro-4-pyridinyl)-1-[(5-fluoro-3-pyridinyl)methyl]benzimidazole
CID 90415126
1-tert-butyl-6-(5-ethynyl-1H-pyrrolo[2,3-b]pyridin-3-yl)benzimidazole
CID 122608917
3-[(3-fluoro-5-methoxyphenyl)methyl]-N-hydroxybenzimidazole-5-carboxamide
CID 87265978
tert-butyl N-[5-chloro-4-[3-[(3-fluorophenyl)methyl]benzimidazol-5-yl]-2-pyridinyl]carbamate
CID 86299076
6-chloro-3-[3-[(4-chlorophenyl)methyl]-5-(4-fluorophenyl)imidazol-4-yl]-1H-indole
CID 141221253
N-[5-chloro-4-[3-[(4-fluorophenyl)methyl]benzimidazol-5-yl]-2-pyridinyl]piperidine-3-carboxamide
CID 140653411
3-[(4-fluorophenyl)methyl]-N-phenoxyimidazo[4,5-c]pyridine-6-carboxamide
CID 10044170

Frequently Asked Questions

What is the IUPAC name of 1-[(4-fluorophenyl)methyl]-6-(5-methoxy-1H-pyrrolo[2,3-b]pyridin-3-yl)benzimidazole?
The IUPAC name of 1-[(4-fluorophenyl)methyl]-6-(5-methoxy-1H-pyrrolo[2,3-b]pyridin-3-yl)benzimidazole (CID 122608876) is 1-[(4-fluorophenyl)methyl]-6-(5-methoxy-1H-pyrrolo[2,3-b]pyridin-3-yl)benzimidazole.
What is the SMILES notation for 1-[(4-fluorophenyl)methyl]-6-(5-methoxy-1H-pyrrolo[2,3-b]pyridin-3-yl)benzimidazole?
The canonical SMILES for 1-[(4-fluorophenyl)methyl]-6-(5-methoxy-1H-pyrrolo[2,3-b]pyridin-3-yl)benzimidazole is COc1cnc2[nH]cc(-c3ccc4ncn(Cc5ccc(F)cc5)c4c3)c2c1.
What is the InChIKey of 1-[(4-fluorophenyl)methyl]-6-(5-methoxy-1H-pyrrolo[2,3-b]pyridin-3-yl)benzimidazole?
The InChIKey is ADTREPKTTJZDPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H17FN4O/c1-28-17-9-18-19(11-25-22(18)24-10-17)15-4-7-20-21(8-15)27(13-26-20)12-14-2-5-16(23)6-3-14/h2-11,13H,12H2,1H3,(H,24,25).
What are the key properties of 1-[(4-fluorophenyl)methyl]-6-(5-methoxy-1H-pyrrolo[2,3-b]pyridin-3-yl)benzimidazole?
1-[(4-fluorophenyl)methyl]-6-(5-methoxy-1H-pyrrolo[2,3-b]pyridin-3-yl)benzimidazole has a molecular weight of 372.40 g/mol, XLogP of 4.78, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4-fluorophenyl)methyl]-6-(5-methoxy-1H-pyrrolo[2,3-b]pyridin-3-yl)benzimidazole is sourced from PubChem (CID 122608876), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).