2-[4-chloro-2-[[(2-oxo-1,3-dihydrobenzimidazol-5-yl)amino]methyl]phenoxy]acetamide

C16H15ClN4O3 — CID 17057899

IUPAC2-[4-chloro-2-[[(2-oxo-1,3-dihydrobenzimidazol-5-yl)amino]methyl]phenoxy]acetamide
SMILESNC(=O)COc1ccc(Cl)cc1CNc1ccc2[nH]c(=O)[nH]c2c1
InChIInChI=1S/C16H15ClN4O3/c17-10-1-4-14(24-8-15(18)22)9(5-10)7-19-11-2-3-12-13(6-11)21-16(23)20-12/h1-6,19H,7-8H2,(H2,18,22)(H2,20,21,23)
InChIKeyDKGPRSANKZDJCY-UHFFFAOYSA-N
MW346.77 g/mol
LogP1.99
Rot. Bonds6

About 2-[4-chloro-2-[[(2-oxo-1,3-dihydrobenzimidazol-5-yl)amino]methyl]phenoxy]acetamide

2-[4-chloro-2-[[(2-oxo-1,3-dihydrobenzimidazol-5-yl)amino]methyl]phenoxy]acetamide (PubChem CID 17057899) has the molecular formula C16H15ClN4O3 and a molecular weight of 346.77 g/mol. Its IUPAC name is 2-[4-chloro-2-[[(2-oxo-1,3-dihydrobenzimidazol-5-yl)amino]methyl]phenoxy]acetamide.

Molecular Properties

Compound Name2-[4-chloro-2-[[(2-oxo-1,3-dihydrobenzimidazol-5-yl)amino]methyl]phenoxy]acetamide
PubChem CID17057899
Molecular FormulaC16H15ClN4O3
Molecular Weight346.77 g/mol
Exact Mass346.08
IUPAC Name2-[4-chloro-2-[[(2-oxo-1,3-dihydrobenzimidazol-5-yl)amino]methyl]phenoxy]acetamide
SMILESNC(=O)COc1ccc(Cl)cc1CNc1ccc2[nH]c(=O)[nH]c2c1
InChIInChI=1S/C16H15ClN4O3/c17-10-1-4-14(24-8-15(18)22)9(5-10)7-19-11-2-3-12-13(6-11)21-16(23)20-12/h1-6,19H,7-8H2,(H2,18,22)(H2,20,21,23)
InChIKeyDKGPRSANKZDJCY-UHFFFAOYSA-N
XLogP1.99
TPSA113.00 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.77
LogP ≤ 51.99
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_NH_alk_A(5)', 'substructure': 'N/A'}

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Related Compounds

2-[2-chloro-6-ethoxy-4-[[(2-oxo-1,3-dihydrobenzimidazol-5-yl)amino]methyl]phenoxy]acetamide
CID 6501980
5-[(5-bromo-2-ethoxyphenyl)methylamino]-1,3-dihydrobenzimidazol-2-one
CID 6501967
2-[4-[(5-chloro-2-fluorophenyl)methylamino]phenoxy]acetamide
CID 115761971
2-[4-chloro-2-[[(1-hydroxy-2-methylpropan-2-yl)amino]methyl]phenoxy]acetamide
CID 17053993
2-[4-chloro-2-[(2-hydroxyethylamino)methyl]phenoxy]acetamide;hydrochloride
CID 17053988
5-[(5-bromo-2-methoxyphenyl)methylamino]-1,3-dihydrobenzimidazol-2-one
CID 1227105
N-tert-butyl-2-[5-chloro-2-methoxy-4-[[(2-oxo-1,3-dihydrobenzimidazol-5-yl)amino]methyl]phenoxy]acetamide
CID 66539936
5-[(3-chloro-4-fluorophenyl)methylamino]-1,3-dihydrobenzimidazol-2-one
CID 81143259
2-[4-chloro-2-[[2-(2-hydroxyethylamino)ethylamino]methyl]phenoxy]acetamide;dihydrochloride
CID 17054063
5-[[3,5-dichloro-2-[(4-methylphenyl)methoxy]phenyl]methylamino]-1,3-dihydrobenzimidazol-2-one
CID 17057906
5-[(2-fluorophenyl)methylamino]-1,3-dihydrobenzimidazol-2-one;hydrochloride
CID 17060042
3-[[(2-oxo-1,3-dihydrobenzimidazol-5-yl)amino]methyl]benzamide
CID 63277343

Frequently Asked Questions

What is the IUPAC name of 2-[4-chloro-2-[[(2-oxo-1,3-dihydrobenzimidazol-5-yl)amino]methyl]phenoxy]acetamide?
The IUPAC name of 2-[4-chloro-2-[[(2-oxo-1,3-dihydrobenzimidazol-5-yl)amino]methyl]phenoxy]acetamide (CID 17057899) is 2-[4-chloro-2-[[(2-oxo-1,3-dihydrobenzimidazol-5-yl)amino]methyl]phenoxy]acetamide.
What is the SMILES notation for 2-[4-chloro-2-[[(2-oxo-1,3-dihydrobenzimidazol-5-yl)amino]methyl]phenoxy]acetamide?
The canonical SMILES for 2-[4-chloro-2-[[(2-oxo-1,3-dihydrobenzimidazol-5-yl)amino]methyl]phenoxy]acetamide is NC(=O)COc1ccc(Cl)cc1CNc1ccc2[nH]c(=O)[nH]c2c1.
What is the InChIKey of 2-[4-chloro-2-[[(2-oxo-1,3-dihydrobenzimidazol-5-yl)amino]methyl]phenoxy]acetamide?
The InChIKey is DKGPRSANKZDJCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15ClN4O3/c17-10-1-4-14(24-8-15(18)22)9(5-10)7-19-11-2-3-12-13(6-11)21-16(23)20-12/h1-6,19H,7-8H2,(H2,18,22)(H2,20,21,23).
What are the key properties of 2-[4-chloro-2-[[(2-oxo-1,3-dihydrobenzimidazol-5-yl)amino]methyl]phenoxy]acetamide?
2-[4-chloro-2-[[(2-oxo-1,3-dihydrobenzimidazol-5-yl)amino]methyl]phenoxy]acetamide has a molecular weight of 346.77 g/mol, XLogP of 1.99, 6 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-chloro-2-[[(2-oxo-1,3-dihydrobenzimidazol-5-yl)amino]methyl]phenoxy]acetamide is sourced from PubChem (CID 17057899), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).