N-[1-(1H-benzimidazol-2-ylamino)-3-hydroxy-1-oxopropan-2-yl]-4-phenylbenzamide

C23H20N4O3 — CID 5079290

IUPACN-[1-(1H-benzimidazol-2-ylamino)-3-hydroxy-1-oxopropan-2-yl]-4-phenylbenzamide
SMILESO=C(NC(CO)C(=O)Nc1nc2ccccc2[nH]1)c1ccc(-c2ccccc2)cc1
InChIInChI=1S/C23H20N4O3/c28-14-20(22(30)27-23-25-18-8-4-5-9-19(18)26-23)24-21(29)17-12-10-16(11-13-17)15-6-2-1-3-7-15/h1-13,20,28H,14H2,(H,24,29)(H2,25,26,27,30)
InChIKeyZMMWKHJEOXMLEB-UHFFFAOYSA-N
MW400.44 g/mol
LogP2.96
Rot. Bonds6

About N-[1-(1H-benzimidazol-2-ylamino)-3-hydroxy-1-oxopropan-2-yl]-4-phenylbenzamide

N-[1-(1H-benzimidazol-2-ylamino)-3-hydroxy-1-oxopropan-2-yl]-4-phenylbenzamide (PubChem CID 5079290) has the molecular formula C23H20N4O3 and a molecular weight of 400.44 g/mol. Its IUPAC name is N-[1-(1H-benzimidazol-2-ylamino)-3-hydroxy-1-oxopropan-2-yl]-4-phenylbenzamide.

Molecular Properties

Compound NameN-[1-(1H-benzimidazol-2-ylamino)-3-hydroxy-1-oxopropan-2-yl]-4-phenylbenzamide
PubChem CID5079290
Molecular FormulaC23H20N4O3
Molecular Weight400.44 g/mol
Exact Mass400.15
IUPAC NameN-[1-(1H-benzimidazol-2-ylamino)-3-hydroxy-1-oxopropan-2-yl]-4-phenylbenzamide
SMILESO=C(NC(CO)C(=O)Nc1nc2ccccc2[nH]1)c1ccc(-c2ccccc2)cc1
InChIInChI=1S/C23H20N4O3/c28-14-20(22(30)27-23-25-18-8-4-5-9-19(18)26-23)24-21(29)17-12-10-16(11-13-17)15-6-2-1-3-7-15/h1-13,20,28H,14H2,(H,24,29)(H2,25,26,27,30)
InChIKeyZMMWKHJEOXMLEB-UHFFFAOYSA-N
XLogP2.96
TPSA107.11 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.44
LogP ≤ 52.96
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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Related Compounds

N-[1-(1H-benzimidazol-2-ylamino)-3-hydroxy-1-oxopropan-2-yl]benzamide
CID 3639132
N-[(2S)-1-(1H-benzimidazol-2-ylamino)-3-hydroxy-1-oxopropan-2-yl]-2H-benzotriazole-5-carboxamide
CID 6723713
N-[(2S)-1-(1H-benzimidazol-2-ylamino)-3-hydroxy-1-oxopropan-2-yl]-1,3-benzodioxole-5-carboxamide
CID 6723555
N-[1-(1H-benzimidazol-2-ylamino)-1-oxopentan-2-yl]-4-methoxybenzamide
CID 53199867
N-[1-(1H-benzimidazol-2-ylamino)-1-oxopentan-2-yl]-3,5-difluorobenzamide
CID 53199846
N-[(2S)-1-(1H-benzimidazol-2-ylamino)-4-methyl-1-oxopentan-2-yl]-2-methylbenzamide
CID 27649409
N-[1-(1H-benzimidazol-2-ylamino)-4-methyl-1-oxopentan-2-yl]-3,4,5-trimethoxybenzamide
CID 53199794
N-[3-(1H-benzimidazol-2-ylamino)phenyl]-4-phenylbenzamide
CID 156631123
N-[(2R)-1-(1H-benzimidazol-2-ylamino)-3-methyl-1-oxobutan-2-yl]-4-methoxybenzamide
CID 51419906
N-[1-(1H-benzimidazol-2-ylamino)-3-methyl-1-oxobutan-2-yl]-4-methoxybenzamide
CID 4288880
N-[1-(1H-benzimidazol-2-ylamino)-3-methyl-1-oxopentan-2-yl]-4-propan-2-ylbenzamide
CID 53199808
N-(1H-benzimidazol-2-yl)-2-methylpentanamide
CID 60629405

Frequently Asked Questions

What is the IUPAC name of N-[1-(1H-benzimidazol-2-ylamino)-3-hydroxy-1-oxopropan-2-yl]-4-phenylbenzamide?
The IUPAC name of N-[1-(1H-benzimidazol-2-ylamino)-3-hydroxy-1-oxopropan-2-yl]-4-phenylbenzamide (CID 5079290) is N-[1-(1H-benzimidazol-2-ylamino)-3-hydroxy-1-oxopropan-2-yl]-4-phenylbenzamide.
What is the SMILES notation for N-[1-(1H-benzimidazol-2-ylamino)-3-hydroxy-1-oxopropan-2-yl]-4-phenylbenzamide?
The canonical SMILES for N-[1-(1H-benzimidazol-2-ylamino)-3-hydroxy-1-oxopropan-2-yl]-4-phenylbenzamide is O=C(NC(CO)C(=O)Nc1nc2ccccc2[nH]1)c1ccc(-c2ccccc2)cc1.
What is the InChIKey of N-[1-(1H-benzimidazol-2-ylamino)-3-hydroxy-1-oxopropan-2-yl]-4-phenylbenzamide?
The InChIKey is ZMMWKHJEOXMLEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20N4O3/c28-14-20(22(30)27-23-25-18-8-4-5-9-19(18)26-23)24-21(29)17-12-10-16(11-13-17)15-6-2-1-3-7-15/h1-13,20,28H,14H2,(H,24,29)(H2,25,26,27,30).
What are the key properties of N-[1-(1H-benzimidazol-2-ylamino)-3-hydroxy-1-oxopropan-2-yl]-4-phenylbenzamide?
N-[1-(1H-benzimidazol-2-ylamino)-3-hydroxy-1-oxopropan-2-yl]-4-phenylbenzamide has a molecular weight of 400.44 g/mol, XLogP of 2.96, 6 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(1H-benzimidazol-2-ylamino)-3-hydroxy-1-oxopropan-2-yl]-4-phenylbenzamide is sourced from PubChem (CID 5079290), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).