1H-benzimidazol-2-yl-[4-[[3-(2-methoxyquinolin-3-yl)-2-pyridinyl]oxy]phenyl]methanone

C29H20N4O3 — CID 59326893

IUPAC1H-benzimidazol-2-yl-[4-[[3-(2-methoxyquinolin-3-yl)-2-pyridinyl]oxy]phenyl]methanone
SMILESCOc1nc2ccccc2cc1-c1cccnc1Oc1ccc(C(=O)c2nc3ccccc3[nH]2)cc1
InChIInChI=1S/C29H20N4O3/c1-35-29-22(17-19-7-2-3-9-23(19)33-29)21-8-6-16-30-28(21)36-20-14-12-18(13-15-20)26(34)27-31-24-10-4-5-11-25(24)32-27/h2-17H,1H3,(H,31,32)
InChIKeyDZPYVQSUTHHSJB-UHFFFAOYSA-N
MW472.50 g/mol
LogP6.20
Rot. Bonds6

About 1H-benzimidazol-2-yl-[4-[[3-(2-methoxyquinolin-3-yl)-2-pyridinyl]oxy]phenyl]methanone

1H-benzimidazol-2-yl-[4-[[3-(2-methoxyquinolin-3-yl)-2-pyridinyl]oxy]phenyl]methanone (PubChem CID 59326893) has the molecular formula C29H20N4O3 and a molecular weight of 472.50 g/mol. Its IUPAC name is 1H-benzimidazol-2-yl-[4-[[3-(2-methoxyquinolin-3-yl)-2-pyridinyl]oxy]phenyl]methanone.

Molecular Properties

Compound Name1H-benzimidazol-2-yl-[4-[[3-(2-methoxyquinolin-3-yl)-2-pyridinyl]oxy]phenyl]methanone
PubChem CID59326893
Molecular FormulaC29H20N4O3
Molecular Weight472.50 g/mol
Exact Mass472.15
IUPAC Name1H-benzimidazol-2-yl-[4-[[3-(2-methoxyquinolin-3-yl)-2-pyridinyl]oxy]phenyl]methanone
SMILESCOc1nc2ccccc2cc1-c1cccnc1Oc1ccc(C(=O)c2nc3ccccc3[nH]2)cc1
InChIInChI=1S/C29H20N4O3/c1-35-29-22(17-19-7-2-3-9-23(19)33-29)21-8-6-16-30-28(21)36-20-14-12-18(13-15-20)26(34)27-31-24-10-4-5-11-25(24)32-27/h2-17H,1H3,(H,31,32)
InChIKeyDZPYVQSUTHHSJB-UHFFFAOYSA-N
XLogP6.20
TPSA89.99 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500472.50
LogP ≤ 56.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1H-benzimidazol-2-yl-[4-[[3-(2-methoxyquinolin-3-yl)-2-pyridinyl]oxy]phenyl]methanone?
The IUPAC name of 1H-benzimidazol-2-yl-[4-[[3-(2-methoxyquinolin-3-yl)-2-pyridinyl]oxy]phenyl]methanone (CID 59326893) is 1H-benzimidazol-2-yl-[4-[[3-(2-methoxyquinolin-3-yl)-2-pyridinyl]oxy]phenyl]methanone.
What is the SMILES notation for 1H-benzimidazol-2-yl-[4-[[3-(2-methoxyquinolin-3-yl)-2-pyridinyl]oxy]phenyl]methanone?
The canonical SMILES for 1H-benzimidazol-2-yl-[4-[[3-(2-methoxyquinolin-3-yl)-2-pyridinyl]oxy]phenyl]methanone is COc1nc2ccccc2cc1-c1cccnc1Oc1ccc(C(=O)c2nc3ccccc3[nH]2)cc1.
What is the InChIKey of 1H-benzimidazol-2-yl-[4-[[3-(2-methoxyquinolin-3-yl)-2-pyridinyl]oxy]phenyl]methanone?
The InChIKey is DZPYVQSUTHHSJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H20N4O3/c1-35-29-22(17-19-7-2-3-9-23(19)33-29)21-8-6-16-30-28(21)36-20-14-12-18(13-15-20)26(34)27-31-24-10-4-5-11-25(24)32-27/h2-17H,1H3,(H,31,32).
What are the key properties of 1H-benzimidazol-2-yl-[4-[[3-(2-methoxyquinolin-3-yl)-2-pyridinyl]oxy]phenyl]methanone?
1H-benzimidazol-2-yl-[4-[[3-(2-methoxyquinolin-3-yl)-2-pyridinyl]oxy]phenyl]methanone has a molecular weight of 472.50 g/mol, XLogP of 6.20, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1H-benzimidazol-2-yl-[4-[[3-(2-methoxyquinolin-3-yl)-2-pyridinyl]oxy]phenyl]methanone is sourced from PubChem (CID 59326893), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).