4-[[2-[(4-imidazol-1-ylphenyl)methylamino]-2-oxoethyl]amino]benzamide

C19H19N5O2 — CID 166218360

IUPAC4-[[2-[(4-imidazol-1-ylphenyl)methylamino]-2-oxoethyl]amino]benzamide
SMILESNC(=O)c1ccc(NCC(=O)NCc2ccc(-n3ccnc3)cc2)cc1
InChIInChI=1S/C19H19N5O2/c20-19(26)15-3-5-16(6-4-15)22-12-18(25)23-11-14-1-7-17(8-2-14)24-10-9-21-13-24/h1-10,13,22H,11-12H2,(H2,20,26)(H,23,25)
InChIKeyDAPLVTQTUSIKBK-UHFFFAOYSA-N
MW349.39 g/mol
LogP1.70
Rot. Bonds7

About 4-[[2-[(4-imidazol-1-ylphenyl)methylamino]-2-oxoethyl]amino]benzamide

4-[[2-[(4-imidazol-1-ylphenyl)methylamino]-2-oxoethyl]amino]benzamide (PubChem CID 166218360) has the molecular formula C19H19N5O2 and a molecular weight of 349.39 g/mol. Its IUPAC name is 4-[[2-[(4-imidazol-1-ylphenyl)methylamino]-2-oxoethyl]amino]benzamide.

Molecular Properties

Compound Name4-[[2-[(4-imidazol-1-ylphenyl)methylamino]-2-oxoethyl]amino]benzamide
PubChem CID166218360
Molecular FormulaC19H19N5O2
Molecular Weight349.39 g/mol
Exact Mass349.15
IUPAC Name4-[[2-[(4-imidazol-1-ylphenyl)methylamino]-2-oxoethyl]amino]benzamide
SMILESNC(=O)c1ccc(NCC(=O)NCc2ccc(-n3ccnc3)cc2)cc1
InChIInChI=1S/C19H19N5O2/c20-19(26)15-3-5-16(6-4-15)22-12-18(25)23-11-14-1-7-17(8-2-14)24-10-9-21-13-24/h1-10,13,22H,11-12H2,(H2,20,26)(H,23,25)
InChIKeyDAPLVTQTUSIKBK-UHFFFAOYSA-N
XLogP1.70
TPSA102.04 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.39
LogP ≤ 51.70
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

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CID 43229289
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2-[(4-imidazol-1-ylphenyl)methylamino]-N-propylacetamide
CID 43221383
N-[(4-imidazol-1-ylphenyl)methyl]-2-(4-methylphenyl)sulfanylacetamide
CID 46772928
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CID 43790371
2-(2-fluorophenyl)-N-[(4-imidazol-1-ylphenyl)methyl]acetamide
CID 50847572
4-[(3-chloro-4-imidazol-1-ylanilino)methyl]benzamide
CID 166229117
4-imidazol-1-yl-N-[(4-methoxyphenyl)methyl]benzamide
CID 31533303
N-[(4-imidazol-1-ylphenyl)methyl]pyridine-3-carboxamide
CID 53159079
2-(4-bromophenoxy)-N-[(4-imidazol-1-ylphenyl)methyl]acetamide
CID 52770659
N-[(4-imidazol-1-ylphenyl)methyl]-5-methoxypentanamide
CID 86872246

Frequently Asked Questions

What is the IUPAC name of 4-[[2-[(4-imidazol-1-ylphenyl)methylamino]-2-oxoethyl]amino]benzamide?
The IUPAC name of 4-[[2-[(4-imidazol-1-ylphenyl)methylamino]-2-oxoethyl]amino]benzamide (CID 166218360) is 4-[[2-[(4-imidazol-1-ylphenyl)methylamino]-2-oxoethyl]amino]benzamide.
What is the SMILES notation for 4-[[2-[(4-imidazol-1-ylphenyl)methylamino]-2-oxoethyl]amino]benzamide?
The canonical SMILES for 4-[[2-[(4-imidazol-1-ylphenyl)methylamino]-2-oxoethyl]amino]benzamide is NC(=O)c1ccc(NCC(=O)NCc2ccc(-n3ccnc3)cc2)cc1.
What is the InChIKey of 4-[[2-[(4-imidazol-1-ylphenyl)methylamino]-2-oxoethyl]amino]benzamide?
The InChIKey is DAPLVTQTUSIKBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19N5O2/c20-19(26)15-3-5-16(6-4-15)22-12-18(25)23-11-14-1-7-17(8-2-14)24-10-9-21-13-24/h1-10,13,22H,11-12H2,(H2,20,26)(H,23,25).
What are the key properties of 4-[[2-[(4-imidazol-1-ylphenyl)methylamino]-2-oxoethyl]amino]benzamide?
4-[[2-[(4-imidazol-1-ylphenyl)methylamino]-2-oxoethyl]amino]benzamide has a molecular weight of 349.39 g/mol, XLogP of 1.70, 7 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[2-[(4-imidazol-1-ylphenyl)methylamino]-2-oxoethyl]amino]benzamide is sourced from PubChem (CID 166218360), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).