5-amino-3-chloro-2-(1-imidazol-1-ylpropan-2-ylamino)benzamide

C13H16ClN5O — CID 107195013

IUPAC5-amino-3-chloro-2-(1-imidazol-1-ylpropan-2-ylamino)benzamide
SMILESCC(Cn1ccnc1)Nc1c(Cl)cc(N)cc1C(N)=O
InChIInChI=1S/C13H16ClN5O/c1-8(6-19-3-2-17-7-19)18-12-10(13(16)20)4-9(15)5-11(12)14/h2-5,7-8,18H,6,15H2,1H3,(H2,16,20)
InChIKeyVRBYVJOQMUEGSE-UHFFFAOYSA-N
MW293.76 g/mol
LogP1.72
Rot. Bonds5

About 5-amino-3-chloro-2-(1-imidazol-1-ylpropan-2-ylamino)benzamide

5-amino-3-chloro-2-(1-imidazol-1-ylpropan-2-ylamino)benzamide (PubChem CID 107195013) has the molecular formula C13H16ClN5O and a molecular weight of 293.76 g/mol. Its IUPAC name is 5-amino-3-chloro-2-(1-imidazol-1-ylpropan-2-ylamino)benzamide.

Molecular Properties

Compound Name5-amino-3-chloro-2-(1-imidazol-1-ylpropan-2-ylamino)benzamide
PubChem CID107195013
Molecular FormulaC13H16ClN5O
Molecular Weight293.76 g/mol
Exact Mass293.10
IUPAC Name5-amino-3-chloro-2-(1-imidazol-1-ylpropan-2-ylamino)benzamide
SMILESCC(Cn1ccnc1)Nc1c(Cl)cc(N)cc1C(N)=O
InChIInChI=1S/C13H16ClN5O/c1-8(6-19-3-2-17-7-19)18-12-10(13(16)20)4-9(15)5-11(12)14/h2-5,7-8,18H,6,15H2,1H3,(H2,16,20)
InChIKeyVRBYVJOQMUEGSE-UHFFFAOYSA-N
XLogP1.72
TPSA98.96 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.76
LogP ≤ 51.72
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

5-amino-2-(1-imidazol-1-ylpropan-2-ylamino)pyridine-3-carboxamide
CID 61479644
5-amino-3-chloro-2-(4-ethylsulfanylbutan-2-ylamino)benzamide
CID 107196840
3,5-difluoro-4-(1-imidazol-1-ylpropan-2-ylamino)benzenecarbothioamide
CID 81286265
4-chloro-2-(1-imidazol-1-ylpropan-2-ylamino)benzenecarbothioamide
CID 63092980
3,5,6-trichloro-N-(1-imidazol-1-ylpropan-2-yl)pyridin-2-amine
CID 102750662
5-amino-3-chloro-2-[[1-[ethyl(methyl)amino]-1-oxopropan-2-yl]amino]benzamide
CID 107196988
3,5-difluoro-4-(1-imidazol-1-ylpropan-2-ylamino)benzoic acid
CID 63185406
6-chloro-4-N-(1-imidazol-1-ylpropan-2-yl)pyrimidine-2,4-diamine
CID 80736024
3-amino-4-chloro-N-(1-imidazol-1-ylpropan-2-yl)benzamide
CID 43695461
4-amino-2-chloro-N-(1-imidazol-1-ylpropan-2-yl)benzenesulfonamide
CID 61479552
2,3,4,5,6-pentafluoro-N-(1-imidazol-1-ylpropan-2-yl)aniline
CID 61482768
5-bromo-3-chloro-N-(1-imidazol-1-ylpropan-2-yl)pyridin-2-amine
CID 103582451

Frequently Asked Questions

What is the IUPAC name of 5-amino-3-chloro-2-(1-imidazol-1-ylpropan-2-ylamino)benzamide?
The IUPAC name of 5-amino-3-chloro-2-(1-imidazol-1-ylpropan-2-ylamino)benzamide (CID 107195013) is 5-amino-3-chloro-2-(1-imidazol-1-ylpropan-2-ylamino)benzamide.
What is the SMILES notation for 5-amino-3-chloro-2-(1-imidazol-1-ylpropan-2-ylamino)benzamide?
The canonical SMILES for 5-amino-3-chloro-2-(1-imidazol-1-ylpropan-2-ylamino)benzamide is CC(Cn1ccnc1)Nc1c(Cl)cc(N)cc1C(N)=O.
What is the InChIKey of 5-amino-3-chloro-2-(1-imidazol-1-ylpropan-2-ylamino)benzamide?
The InChIKey is VRBYVJOQMUEGSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16ClN5O/c1-8(6-19-3-2-17-7-19)18-12-10(13(16)20)4-9(15)5-11(12)14/h2-5,7-8,18H,6,15H2,1H3,(H2,16,20).
What are the key properties of 5-amino-3-chloro-2-(1-imidazol-1-ylpropan-2-ylamino)benzamide?
5-amino-3-chloro-2-(1-imidazol-1-ylpropan-2-ylamino)benzamide has a molecular weight of 293.76 g/mol, XLogP of 1.72, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-3-chloro-2-(1-imidazol-1-ylpropan-2-ylamino)benzamide is sourced from PubChem (CID 107195013), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).