4-(4,5-dihydro-1H-imidazol-2-ylamino)benzamide

C10H12N4O — CID 22245999

IUPAC4-(4,5-dihydro-1H-imidazol-2-ylamino)benzamide
SMILESNC(=O)c1ccc(NC2=NCCN2)cc1
InChIInChI=1S/C10H12N4O/c11-9(15)7-1-3-8(4-2-7)14-10-12-5-6-13-10/h1-4H,5-6H2,(H2,11,15)(H2,12,13,14)
InChIKeyFBMCAIQQSCFHKL-UHFFFAOYSA-N
MW204.23 g/mol
LogP0.16
Rot. Bonds2

About 4-(4,5-dihydro-1H-imidazol-2-ylamino)benzamide

4-(4,5-dihydro-1H-imidazol-2-ylamino)benzamide (PubChem CID 22245999) has the molecular formula C10H12N4O and a molecular weight of 204.23 g/mol. Its IUPAC name is 4-(4,5-dihydro-1H-imidazol-2-ylamino)benzamide.

Molecular Properties

Compound Name4-(4,5-dihydro-1H-imidazol-2-ylamino)benzamide
PubChem CID22245999
Molecular FormulaC10H12N4O
Molecular Weight204.23 g/mol
Exact Mass204.10
IUPAC Name4-(4,5-dihydro-1H-imidazol-2-ylamino)benzamide
SMILESNC(=O)c1ccc(NC2=NCCN2)cc1
InChIInChI=1S/C10H12N4O/c11-9(15)7-1-3-8(4-2-7)14-10-12-5-6-13-10/h1-4H,5-6H2,(H2,11,15)(H2,12,13,14)
InChIKeyFBMCAIQQSCFHKL-UHFFFAOYSA-N
XLogP0.16
TPSA79.51 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.23
LogP ≤ 50.16
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-(4,5-dihydro-1H-imidazol-2-ylamino)benzamide?
The IUPAC name of 4-(4,5-dihydro-1H-imidazol-2-ylamino)benzamide (CID 22245999) is 4-(4,5-dihydro-1H-imidazol-2-ylamino)benzamide.
What is the SMILES notation for 4-(4,5-dihydro-1H-imidazol-2-ylamino)benzamide?
The canonical SMILES for 4-(4,5-dihydro-1H-imidazol-2-ylamino)benzamide is NC(=O)c1ccc(NC2=NCCN2)cc1.
What is the InChIKey of 4-(4,5-dihydro-1H-imidazol-2-ylamino)benzamide?
The InChIKey is FBMCAIQQSCFHKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12N4O/c11-9(15)7-1-3-8(4-2-7)14-10-12-5-6-13-10/h1-4H,5-6H2,(H2,11,15)(H2,12,13,14).
What are the key properties of 4-(4,5-dihydro-1H-imidazol-2-ylamino)benzamide?
4-(4,5-dihydro-1H-imidazol-2-ylamino)benzamide has a molecular weight of 204.23 g/mol, XLogP of 0.16, 2 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4,5-dihydro-1H-imidazol-2-ylamino)benzamide is sourced from PubChem (CID 22245999), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).