2-[[3-(4,5-dihydro-1H-imidazol-2-ylamino)benzoyl]amino]acetic acid

C12H14N4O3 — CID 21306708

IUPAC2-[[3-(4,5-dihydro-1H-imidazol-2-ylamino)benzoyl]amino]acetic acid
SMILESO=C(O)CNC(=O)c1cccc(NC2=NCCN2)c1
InChIInChI=1S/C12H14N4O3/c17-10(18)7-15-11(19)8-2-1-3-9(6-8)16-12-13-4-5-14-12/h1-3,6H,4-5,7H2,(H,15,19)(H,17,18)(H2,13,14,16)
InChIKeyPBFSGYPCFWSARF-UHFFFAOYSA-N
MW262.27 g/mol
LogP-0.13
Rot. Bonds4

About 2-[[3-(4,5-dihydro-1H-imidazol-2-ylamino)benzoyl]amino]acetic acid

2-[[3-(4,5-dihydro-1H-imidazol-2-ylamino)benzoyl]amino]acetic acid (PubChem CID 21306708) has the molecular formula C12H14N4O3 and a molecular weight of 262.27 g/mol. Its IUPAC name is 2-[[3-(4,5-dihydro-1H-imidazol-2-ylamino)benzoyl]amino]acetic acid.

Molecular Properties

Compound Name2-[[3-(4,5-dihydro-1H-imidazol-2-ylamino)benzoyl]amino]acetic acid
PubChem CID21306708
Molecular FormulaC12H14N4O3
Molecular Weight262.27 g/mol
Exact Mass262.11
IUPAC Name2-[[3-(4,5-dihydro-1H-imidazol-2-ylamino)benzoyl]amino]acetic acid
SMILESO=C(O)CNC(=O)c1cccc(NC2=NCCN2)c1
InChIInChI=1S/C12H14N4O3/c17-10(18)7-15-11(19)8-2-1-3-9(6-8)16-12-13-4-5-14-12/h1-3,6H,4-5,7H2,(H,15,19)(H,17,18)(H2,13,14,16)
InChIKeyPBFSGYPCFWSARF-UHFFFAOYSA-N
XLogP-0.13
TPSA102.82 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.27
LogP ≤ 5-0.13
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

Analyze 2-[[3-(4,5-dihydro-1H-imidazol-2-ylamino)benzoyl]amino]acetic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-phenyl-3-(1,4,5,6-tetrahydropyrimidin-2-ylamino)benzamide
CID 173309503
(3S)-3-[[2-[[3-(4,5-dihydro-1H-imidazol-2-ylamino)benzoyl]amino]acetyl]amino]-3-[3-(2-hydroxypropan-2-yl)-5-(trifluoromethyl)phenyl]propanoic acid
CID 72948604
(3S)-3-[3-chloro-5-(2-hydroxypropan-2-yl)phenyl]-3-[[2-[[3-(4,5-dihydro-1H-imidazol-2-ylamino)benzoyl]amino]acetyl]amino]propanoic acid
CID 72948600
3-(3-chlorophenyl)-3-[[2-[[3-(1,4,5,6-tetrahydropyrimidin-2-ylamino)benzoyl]amino]acetyl]amino]propanoic acid
CID 22608360
1-N,3-N-bis[4-(4,5-dihydro-1H-imidazol-2-ylamino)phenyl]benzene-1,3-dicarboxamide;dihydrochloride
CID 131880352
3-bromo-2-(3-chlorophenyl)-3-[[2-[[3-(1,4,5,6-tetrahydropyrimidin-2-ylamino)benzoyl]amino]acetyl]amino]propanoic acid
CID 174434893
3-[3,5-dibromo-2-[[2-[[3-(1,4,5,6-tetrahydropyrimidin-2-ylamino)benzoyl]amino]acetyl]amino]phenyl]propanoic acid
CID 70059541
(3S)-3-[4-[[3-(4,5-dihydro-1H-imidazol-2-ylamino)benzoyl]amino]phenyl]sulfinyl-3-phenylpropanoic acid
CID 69094034
(E)-3-[4-[[3-(4,5-dihydro-1H-imidazol-2-ylamino)benzoyl]amino]-3,5-dimethylphenyl]prop-2-enoic acid
CID 22098946
3-(3-bromo-5-chloro-2-hydroxyphenyl)-2-[[2-[[3-(1,4,5,6-tetrahydropyrimidin-2-ylamino)benzoyl]amino]acetyl]amino]propanoic acid
CID 70203141
2-(3-bromo-5-chlorophenyl)-3-[[2-[[3-(1,4,5,6-tetrahydropyrimidin-2-ylamino)benzoyl]amino]acetyl]amino]propanoic acid
CID 174434891
ethane;N-phenyl-4,5-dihydro-1H-imidazol-2-amine
CID 90984879

Frequently Asked Questions

What is the IUPAC name of 2-[[3-(4,5-dihydro-1H-imidazol-2-ylamino)benzoyl]amino]acetic acid?
The IUPAC name of 2-[[3-(4,5-dihydro-1H-imidazol-2-ylamino)benzoyl]amino]acetic acid (CID 21306708) is 2-[[3-(4,5-dihydro-1H-imidazol-2-ylamino)benzoyl]amino]acetic acid.
What is the SMILES notation for 2-[[3-(4,5-dihydro-1H-imidazol-2-ylamino)benzoyl]amino]acetic acid?
The canonical SMILES for 2-[[3-(4,5-dihydro-1H-imidazol-2-ylamino)benzoyl]amino]acetic acid is O=C(O)CNC(=O)c1cccc(NC2=NCCN2)c1.
What is the InChIKey of 2-[[3-(4,5-dihydro-1H-imidazol-2-ylamino)benzoyl]amino]acetic acid?
The InChIKey is PBFSGYPCFWSARF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N4O3/c17-10(18)7-15-11(19)8-2-1-3-9(6-8)16-12-13-4-5-14-12/h1-3,6H,4-5,7H2,(H,15,19)(H,17,18)(H2,13,14,16).
What are the key properties of 2-[[3-(4,5-dihydro-1H-imidazol-2-ylamino)benzoyl]amino]acetic acid?
2-[[3-(4,5-dihydro-1H-imidazol-2-ylamino)benzoyl]amino]acetic acid has a molecular weight of 262.27 g/mol, XLogP of -0.13, 4 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[3-(4,5-dihydro-1H-imidazol-2-ylamino)benzoyl]amino]acetic acid is sourced from PubChem (CID 21306708), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).