N-[5-amino-4-(chloromethyl)-2-phenylimidazol-4-yl]benzamide

C17H15ClN4O — CID 45142662

IUPACN-[5-amino-4-(chloromethyl)-2-phenylimidazol-4-yl]benzamide
SMILESNC1=NC(c2ccccc2)=NC1(CCl)NC(=O)c1ccccc1
InChIInChI=1S/C17H15ClN4O/c18-11-17(22-15(23)13-9-5-2-6-10-13)16(19)20-14(21-17)12-7-3-1-4-8-12/h1-10H,11H2,(H,22,23)(H2,19,20,21)
InChIKeyVUTZNJUGJAWKIP-UHFFFAOYSA-N
MW326.79 g/mol
LogP2.17
Rot. Bonds4

About N-[5-amino-4-(chloromethyl)-2-phenylimidazol-4-yl]benzamide

N-[5-amino-4-(chloromethyl)-2-phenylimidazol-4-yl]benzamide (PubChem CID 45142662) has the molecular formula C17H15ClN4O and a molecular weight of 326.79 g/mol. Its IUPAC name is N-[5-amino-4-(chloromethyl)-2-phenylimidazol-4-yl]benzamide.

Molecular Properties

Compound NameN-[5-amino-4-(chloromethyl)-2-phenylimidazol-4-yl]benzamide
PubChem CID45142662
Molecular FormulaC17H15ClN4O
Molecular Weight326.79 g/mol
Exact Mass326.09
IUPAC NameN-[5-amino-4-(chloromethyl)-2-phenylimidazol-4-yl]benzamide
SMILESNC1=NC(c2ccccc2)=NC1(CCl)NC(=O)c1ccccc1
InChIInChI=1S/C17H15ClN4O/c18-11-17(22-15(23)13-9-5-2-6-10-13)16(19)20-14(21-17)12-7-3-1-4-8-12/h1-10H,11H2,(H,22,23)(H2,19,20,21)
InChIKeyVUTZNJUGJAWKIP-UHFFFAOYSA-N
XLogP2.17
TPSA79.84 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.79
LogP ≤ 52.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[5-amino-4-(chloromethyl)-2-phenylimidazol-4-yl]benzamide?
The IUPAC name of N-[5-amino-4-(chloromethyl)-2-phenylimidazol-4-yl]benzamide (CID 45142662) is N-[5-amino-4-(chloromethyl)-2-phenylimidazol-4-yl]benzamide.
What is the SMILES notation for N-[5-amino-4-(chloromethyl)-2-phenylimidazol-4-yl]benzamide?
The canonical SMILES for N-[5-amino-4-(chloromethyl)-2-phenylimidazol-4-yl]benzamide is NC1=NC(c2ccccc2)=NC1(CCl)NC(=O)c1ccccc1.
What is the InChIKey of N-[5-amino-4-(chloromethyl)-2-phenylimidazol-4-yl]benzamide?
The InChIKey is VUTZNJUGJAWKIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15ClN4O/c18-11-17(22-15(23)13-9-5-2-6-10-13)16(19)20-14(21-17)12-7-3-1-4-8-12/h1-10H,11H2,(H,22,23)(H2,19,20,21).
What are the key properties of N-[5-amino-4-(chloromethyl)-2-phenylimidazol-4-yl]benzamide?
N-[5-amino-4-(chloromethyl)-2-phenylimidazol-4-yl]benzamide has a molecular weight of 326.79 g/mol, XLogP of 2.17, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-amino-4-(chloromethyl)-2-phenylimidazol-4-yl]benzamide is sourced from PubChem (CID 45142662), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).