4-[2-[4-(1H-benzimidazole-2-carbonyl)phenoxy]-3-pyridinyl]-1-methylpyrrolidin-2-one

C24H20N4O3 — CID 59326873

IUPAC4-[2-[4-(1H-benzimidazole-2-carbonyl)phenoxy]-3-pyridinyl]-1-methylpyrrolidin-2-one
SMILESCN1CC(c2cccnc2Oc2ccc(C(=O)c3nc4ccccc4[nH]3)cc2)CC1=O
InChIInChI=1S/C24H20N4O3/c1-28-14-16(13-21(28)29)18-5-4-12-25-24(18)31-17-10-8-15(9-11-17)22(30)23-26-19-6-2-3-7-20(19)27-23/h2-12,16H,13-14H2,1H3,(H,26,27)
InChIKeyFVONZJMRTSGTPL-UHFFFAOYSA-N
MW412.45 g/mol
LogP3.93
Rot. Bonds5

About 4-[2-[4-(1H-benzimidazole-2-carbonyl)phenoxy]-3-pyridinyl]-1-methylpyrrolidin-2-one

4-[2-[4-(1H-benzimidazole-2-carbonyl)phenoxy]-3-pyridinyl]-1-methylpyrrolidin-2-one (PubChem CID 59326873) has the molecular formula C24H20N4O3 and a molecular weight of 412.45 g/mol. Its IUPAC name is 4-[2-[4-(1H-benzimidazole-2-carbonyl)phenoxy]-3-pyridinyl]-1-methylpyrrolidin-2-one.

Molecular Properties

Compound Name4-[2-[4-(1H-benzimidazole-2-carbonyl)phenoxy]-3-pyridinyl]-1-methylpyrrolidin-2-one
PubChem CID59326873
Molecular FormulaC24H20N4O3
Molecular Weight412.45 g/mol
Exact Mass412.15
IUPAC Name4-[2-[4-(1H-benzimidazole-2-carbonyl)phenoxy]-3-pyridinyl]-1-methylpyrrolidin-2-one
SMILESCN1CC(c2cccnc2Oc2ccc(C(=O)c3nc4ccccc4[nH]3)cc2)CC1=O
InChIInChI=1S/C24H20N4O3/c1-28-14-16(13-21(28)29)18-5-4-12-25-24(18)31-17-10-8-15(9-11-17)22(30)23-26-19-6-2-3-7-20(19)27-23/h2-12,16H,13-14H2,1H3,(H,26,27)
InChIKeyFVONZJMRTSGTPL-UHFFFAOYSA-N
XLogP3.93
TPSA88.18 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500412.45
LogP ≤ 53.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-[2-[4-(1H-benzimidazole-2-carbonyl)phenoxy]-3-pyridinyl]-1-methylpyrrolidin-2-one?
The IUPAC name of 4-[2-[4-(1H-benzimidazole-2-carbonyl)phenoxy]-3-pyridinyl]-1-methylpyrrolidin-2-one (CID 59326873) is 4-[2-[4-(1H-benzimidazole-2-carbonyl)phenoxy]-3-pyridinyl]-1-methylpyrrolidin-2-one.
What is the SMILES notation for 4-[2-[4-(1H-benzimidazole-2-carbonyl)phenoxy]-3-pyridinyl]-1-methylpyrrolidin-2-one?
The canonical SMILES for 4-[2-[4-(1H-benzimidazole-2-carbonyl)phenoxy]-3-pyridinyl]-1-methylpyrrolidin-2-one is CN1CC(c2cccnc2Oc2ccc(C(=O)c3nc4ccccc4[nH]3)cc2)CC1=O.
What is the InChIKey of 4-[2-[4-(1H-benzimidazole-2-carbonyl)phenoxy]-3-pyridinyl]-1-methylpyrrolidin-2-one?
The InChIKey is FVONZJMRTSGTPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H20N4O3/c1-28-14-16(13-21(28)29)18-5-4-12-25-24(18)31-17-10-8-15(9-11-17)22(30)23-26-19-6-2-3-7-20(19)27-23/h2-12,16H,13-14H2,1H3,(H,26,27).
What are the key properties of 4-[2-[4-(1H-benzimidazole-2-carbonyl)phenoxy]-3-pyridinyl]-1-methylpyrrolidin-2-one?
4-[2-[4-(1H-benzimidazole-2-carbonyl)phenoxy]-3-pyridinyl]-1-methylpyrrolidin-2-one has a molecular weight of 412.45 g/mol, XLogP of 3.93, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-[4-(1H-benzimidazole-2-carbonyl)phenoxy]-3-pyridinyl]-1-methylpyrrolidin-2-one is sourced from PubChem (CID 59326873), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).