3-[[(2-oxo-1,3-dihydrobenzimidazol-5-yl)amino]methyl]benzamide

C15H14N4O2 — CID 63277343

IUPAC3-[[(2-oxo-1,3-dihydrobenzimidazol-5-yl)amino]methyl]benzamide
SMILESNC(=O)c1cccc(CNc2ccc3[nH]c(=O)[nH]c3c2)c1
InChIInChI=1S/C15H14N4O2/c16-14(20)10-3-1-2-9(6-10)8-17-11-4-5-12-13(7-11)19-15(21)18-12/h1-7,17H,8H2,(H2,16,20)(H2,18,19,21)
InChIKeyVDDRPKRTDOFISA-UHFFFAOYSA-N
MW282.30 g/mol
LogP1.57
Rot. Bonds4

About 3-[[(2-oxo-1,3-dihydrobenzimidazol-5-yl)amino]methyl]benzamide

3-[[(2-oxo-1,3-dihydrobenzimidazol-5-yl)amino]methyl]benzamide (PubChem CID 63277343) has the molecular formula C15H14N4O2 and a molecular weight of 282.30 g/mol. Its IUPAC name is 3-[[(2-oxo-1,3-dihydrobenzimidazol-5-yl)amino]methyl]benzamide.

Molecular Properties

Compound Name3-[[(2-oxo-1,3-dihydrobenzimidazol-5-yl)amino]methyl]benzamide
PubChem CID63277343
Molecular FormulaC15H14N4O2
Molecular Weight282.30 g/mol
Exact Mass282.11
IUPAC Name3-[[(2-oxo-1,3-dihydrobenzimidazol-5-yl)amino]methyl]benzamide
SMILESNC(=O)c1cccc(CNc2ccc3[nH]c(=O)[nH]c3c2)c1
InChIInChI=1S/C15H14N4O2/c16-14(20)10-3-1-2-9(6-10)8-17-11-4-5-12-13(7-11)19-15(21)18-12/h1-7,17H,8H2,(H2,16,20)(H2,18,19,21)
InChIKeyVDDRPKRTDOFISA-UHFFFAOYSA-N
XLogP1.57
TPSA103.77 Ų
H-Bond Donors4
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.30
LogP ≤ 51.57
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

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CID 63277483
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CID 28572040
3-[(4-chloro-3-fluoroanilino)methyl]benzamide
CID 61467366
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CID 55201932
3-[(3,5-difluoroanilino)methyl]benzamide
CID 28584265
3-[(3,5-dichloroanilino)methyl]benzamide
CID 28576195
3-[(3-cyanoanilino)methyl]benzamide
CID 28580996
3-[[3-(trifluoromethyl)anilino]methyl]benzamide
CID 28571852
3-[4-[(3-carbamoylphenyl)methylamino]phenyl]propanoic acid
CID 24825506
3-[(4-fluorophenyl)methylamino]benzamide
CID 28650463
6-[(3-fluorophenyl)methylamino]-1,4-dihydroquinoxaline-2,3-dione
CID 43723400

Frequently Asked Questions

What is the IUPAC name of 3-[[(2-oxo-1,3-dihydrobenzimidazol-5-yl)amino]methyl]benzamide?
The IUPAC name of 3-[[(2-oxo-1,3-dihydrobenzimidazol-5-yl)amino]methyl]benzamide (CID 63277343) is 3-[[(2-oxo-1,3-dihydrobenzimidazol-5-yl)amino]methyl]benzamide.
What is the SMILES notation for 3-[[(2-oxo-1,3-dihydrobenzimidazol-5-yl)amino]methyl]benzamide?
The canonical SMILES for 3-[[(2-oxo-1,3-dihydrobenzimidazol-5-yl)amino]methyl]benzamide is NC(=O)c1cccc(CNc2ccc3[nH]c(=O)[nH]c3c2)c1.
What is the InChIKey of 3-[[(2-oxo-1,3-dihydrobenzimidazol-5-yl)amino]methyl]benzamide?
The InChIKey is VDDRPKRTDOFISA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14N4O2/c16-14(20)10-3-1-2-9(6-10)8-17-11-4-5-12-13(7-11)19-15(21)18-12/h1-7,17H,8H2,(H2,16,20)(H2,18,19,21).
What are the key properties of 3-[[(2-oxo-1,3-dihydrobenzimidazol-5-yl)amino]methyl]benzamide?
3-[[(2-oxo-1,3-dihydrobenzimidazol-5-yl)amino]methyl]benzamide has a molecular weight of 282.30 g/mol, XLogP of 1.57, 4 rotatable bonds, 4 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[(2-oxo-1,3-dihydrobenzimidazol-5-yl)amino]methyl]benzamide is sourced from PubChem (CID 63277343), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).