N-[3-[(2-oxo-1,3-dihydrobenzimidazol-4-yl)oxy]phenyl]-3-pyrrolidin-1-ylbenzamide

C24H22N4O3 — CID 46228664

IUPACN-[3-[(2-oxo-1,3-dihydrobenzimidazol-4-yl)oxy]phenyl]-3-pyrrolidin-1-ylbenzamide
SMILESO=C(Nc1cccc(Oc2cccc3[nH]c(=O)[nH]c23)c1)c1cccc(N2CCCC2)c1
InChIInChI=1S/C24H22N4O3/c29-23(16-6-3-8-18(14-16)28-12-1-2-13-28)25-17-7-4-9-19(15-17)31-21-11-5-10-20-22(21)27-24(30)26-20/h3-11,14-15H,1-2,12-13H2,(H,25,29)(H2,26,27,30)
InChIKeyJVMRSZDCEJMQEL-UHFFFAOYSA-N
MW414.47 g/mol
LogP4.50
Rot. Bonds5

About N-[3-[(2-oxo-1,3-dihydrobenzimidazol-4-yl)oxy]phenyl]-3-pyrrolidin-1-ylbenzamide

N-[3-[(2-oxo-1,3-dihydrobenzimidazol-4-yl)oxy]phenyl]-3-pyrrolidin-1-ylbenzamide (PubChem CID 46228664) has the molecular formula C24H22N4O3 and a molecular weight of 414.47 g/mol. Its IUPAC name is N-[3-[(2-oxo-1,3-dihydrobenzimidazol-4-yl)oxy]phenyl]-3-pyrrolidin-1-ylbenzamide.

Molecular Properties

Compound NameN-[3-[(2-oxo-1,3-dihydrobenzimidazol-4-yl)oxy]phenyl]-3-pyrrolidin-1-ylbenzamide
PubChem CID46228664
Molecular FormulaC24H22N4O3
Molecular Weight414.47 g/mol
Exact Mass414.17
IUPAC NameN-[3-[(2-oxo-1,3-dihydrobenzimidazol-4-yl)oxy]phenyl]-3-pyrrolidin-1-ylbenzamide
SMILESO=C(Nc1cccc(Oc2cccc3[nH]c(=O)[nH]c23)c1)c1cccc(N2CCCC2)c1
InChIInChI=1S/C24H22N4O3/c29-23(16-6-3-8-18(14-16)28-12-1-2-13-28)25-17-7-4-9-19(15-17)31-21-11-5-10-20-22(21)27-24(30)26-20/h3-11,14-15H,1-2,12-13H2,(H,25,29)(H2,26,27,30)
InChIKeyJVMRSZDCEJMQEL-UHFFFAOYSA-N
XLogP4.50
TPSA90.22 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500414.47
LogP ≤ 54.50
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[3-[(2-oxo-1,3-dihydrobenzimidazol-4-yl)oxy]phenyl]-3-pyrrolidin-1-ylbenzamide?
The IUPAC name of N-[3-[(2-oxo-1,3-dihydrobenzimidazol-4-yl)oxy]phenyl]-3-pyrrolidin-1-ylbenzamide (CID 46228664) is N-[3-[(2-oxo-1,3-dihydrobenzimidazol-4-yl)oxy]phenyl]-3-pyrrolidin-1-ylbenzamide.
What is the SMILES notation for N-[3-[(2-oxo-1,3-dihydrobenzimidazol-4-yl)oxy]phenyl]-3-pyrrolidin-1-ylbenzamide?
The canonical SMILES for N-[3-[(2-oxo-1,3-dihydrobenzimidazol-4-yl)oxy]phenyl]-3-pyrrolidin-1-ylbenzamide is O=C(Nc1cccc(Oc2cccc3[nH]c(=O)[nH]c23)c1)c1cccc(N2CCCC2)c1.
What is the InChIKey of N-[3-[(2-oxo-1,3-dihydrobenzimidazol-4-yl)oxy]phenyl]-3-pyrrolidin-1-ylbenzamide?
The InChIKey is JVMRSZDCEJMQEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22N4O3/c29-23(16-6-3-8-18(14-16)28-12-1-2-13-28)25-17-7-4-9-19(15-17)31-21-11-5-10-20-22(21)27-24(30)26-20/h3-11,14-15H,1-2,12-13H2,(H,25,29)(H2,26,27,30).
What are the key properties of N-[3-[(2-oxo-1,3-dihydrobenzimidazol-4-yl)oxy]phenyl]-3-pyrrolidin-1-ylbenzamide?
N-[3-[(2-oxo-1,3-dihydrobenzimidazol-4-yl)oxy]phenyl]-3-pyrrolidin-1-ylbenzamide has a molecular weight of 414.47 g/mol, XLogP of 4.50, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[(2-oxo-1,3-dihydrobenzimidazol-4-yl)oxy]phenyl]-3-pyrrolidin-1-ylbenzamide is sourced from PubChem (CID 46228664), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).