3-[2-(4-methoxy-1-phenylbenzimidazol-2-yl)ethyl]-1-methylimidazo[4,5-b]pyridin-2-one

C23H21N5O2 — CID 90644315

IUPAC3-[2-(4-methoxy-1-phenylbenzimidazol-2-yl)ethyl]-1-methylimidazo[4,5-b]pyridin-2-one
SMILESCOc1cccc2c1nc(CCn1c(=O)n(C)c3cccnc31)n2-c1ccccc1
InChIInChI=1S/C23H21N5O2/c1-26-18-11-7-14-24-22(18)27(23(26)29)15-13-20-25-21-17(10-6-12-19(21)30-2)28(20)16-8-4-3-5-9-16/h3-12,14H,13,15H2,1-2H3
InChIKeyNJWBURLDPPBZRK-UHFFFAOYSA-N
MW399.45 g/mol
LogP3.33
Rot. Bonds5

About 3-[2-(4-methoxy-1-phenylbenzimidazol-2-yl)ethyl]-1-methylimidazo[4,5-b]pyridin-2-one

3-[2-(4-methoxy-1-phenylbenzimidazol-2-yl)ethyl]-1-methylimidazo[4,5-b]pyridin-2-one (PubChem CID 90644315) has the molecular formula C23H21N5O2 and a molecular weight of 399.45 g/mol. Its IUPAC name is 3-[2-(4-methoxy-1-phenylbenzimidazol-2-yl)ethyl]-1-methylimidazo[4,5-b]pyridin-2-one.

Molecular Properties

Compound Name3-[2-(4-methoxy-1-phenylbenzimidazol-2-yl)ethyl]-1-methylimidazo[4,5-b]pyridin-2-one
PubChem CID90644315
Molecular FormulaC23H21N5O2
Molecular Weight399.45 g/mol
Exact Mass399.17
IUPAC Name3-[2-(4-methoxy-1-phenylbenzimidazol-2-yl)ethyl]-1-methylimidazo[4,5-b]pyridin-2-one
SMILESCOc1cccc2c1nc(CCn1c(=O)n(C)c3cccnc31)n2-c1ccccc1
InChIInChI=1S/C23H21N5O2/c1-26-18-11-7-14-24-22(18)27(23(26)29)15-13-20-25-21-17(10-6-12-19(21)30-2)28(20)16-8-4-3-5-9-16/h3-12,14H,13,15H2,1-2H3
InChIKeyNJWBURLDPPBZRK-UHFFFAOYSA-N
XLogP3.33
TPSA66.87 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.45
LogP ≤ 53.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 3-[2-(4-methoxy-1-phenylbenzimidazol-2-yl)ethyl]-1-methylimidazo[4,5-b]pyridin-2-one?
The IUPAC name of 3-[2-(4-methoxy-1-phenylbenzimidazol-2-yl)ethyl]-1-methylimidazo[4,5-b]pyridin-2-one (CID 90644315) is 3-[2-(4-methoxy-1-phenylbenzimidazol-2-yl)ethyl]-1-methylimidazo[4,5-b]pyridin-2-one.
What is the SMILES notation for 3-[2-(4-methoxy-1-phenylbenzimidazol-2-yl)ethyl]-1-methylimidazo[4,5-b]pyridin-2-one?
The canonical SMILES for 3-[2-(4-methoxy-1-phenylbenzimidazol-2-yl)ethyl]-1-methylimidazo[4,5-b]pyridin-2-one is COc1cccc2c1nc(CCn1c(=O)n(C)c3cccnc31)n2-c1ccccc1.
What is the InChIKey of 3-[2-(4-methoxy-1-phenylbenzimidazol-2-yl)ethyl]-1-methylimidazo[4,5-b]pyridin-2-one?
The InChIKey is NJWBURLDPPBZRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21N5O2/c1-26-18-11-7-14-24-22(18)27(23(26)29)15-13-20-25-21-17(10-6-12-19(21)30-2)28(20)16-8-4-3-5-9-16/h3-12,14H,13,15H2,1-2H3.
What are the key properties of 3-[2-(4-methoxy-1-phenylbenzimidazol-2-yl)ethyl]-1-methylimidazo[4,5-b]pyridin-2-one?
3-[2-(4-methoxy-1-phenylbenzimidazol-2-yl)ethyl]-1-methylimidazo[4,5-b]pyridin-2-one has a molecular weight of 399.45 g/mol, XLogP of 3.33, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(4-methoxy-1-phenylbenzimidazol-2-yl)ethyl]-1-methylimidazo[4,5-b]pyridin-2-one is sourced from PubChem (CID 90644315), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).