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

C17H16N4O3 — CID 3639132

IUPACN-[1-(1H-benzimidazol-2-ylamino)-3-hydroxy-1-oxopropan-2-yl]benzamide
SMILESO=C(NC(CO)C(=O)Nc1nc2ccccc2[nH]1)c1ccccc1
InChIInChI=1S/C17H16N4O3/c22-10-14(18-15(23)11-6-2-1-3-7-11)16(24)21-17-19-12-8-4-5-9-13(12)20-17/h1-9,14,22H,10H2,(H,18,23)(H2,19,20,21,24)
InChIKeyYYCOKLXAKTZBNH-UHFFFAOYSA-N
MW324.34 g/mol
LogP1.29
Rot. Bonds5

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

N-[1-(1H-benzimidazol-2-ylamino)-3-hydroxy-1-oxopropan-2-yl]benzamide (PubChem CID 3639132) has the molecular formula C17H16N4O3 and a molecular weight of 324.34 g/mol. Its IUPAC name is N-[1-(1H-benzimidazol-2-ylamino)-3-hydroxy-1-oxopropan-2-yl]benzamide.

Molecular Properties

Compound NameN-[1-(1H-benzimidazol-2-ylamino)-3-hydroxy-1-oxopropan-2-yl]benzamide
PubChem CID3639132
Molecular FormulaC17H16N4O3
Molecular Weight324.34 g/mol
Exact Mass324.12
IUPAC NameN-[1-(1H-benzimidazol-2-ylamino)-3-hydroxy-1-oxopropan-2-yl]benzamide
SMILESO=C(NC(CO)C(=O)Nc1nc2ccccc2[nH]1)c1ccccc1
InChIInChI=1S/C17H16N4O3/c22-10-14(18-15(23)11-6-2-1-3-7-11)16(24)21-17-19-12-8-4-5-9-13(12)20-17/h1-9,14,22H,10H2,(H,18,23)(H2,19,20,21,24)
InChIKeyYYCOKLXAKTZBNH-UHFFFAOYSA-N
XLogP1.29
TPSA107.11 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.34
LogP ≤ 51.29
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]-4-phenylbenzamide
CID 5079290
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
(2S)-2-benzamido-4-(1H-benzimidazol-2-yl)butanoic acid
CID 746051
N-(1H-benzimidazol-2-yl)-2-methylpentanamide
CID 60629405
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

Frequently Asked Questions

What is the IUPAC name of N-[1-(1H-benzimidazol-2-ylamino)-3-hydroxy-1-oxopropan-2-yl]benzamide?
The IUPAC name of N-[1-(1H-benzimidazol-2-ylamino)-3-hydroxy-1-oxopropan-2-yl]benzamide (CID 3639132) is N-[1-(1H-benzimidazol-2-ylamino)-3-hydroxy-1-oxopropan-2-yl]benzamide.
What is the SMILES notation for N-[1-(1H-benzimidazol-2-ylamino)-3-hydroxy-1-oxopropan-2-yl]benzamide?
The canonical SMILES for N-[1-(1H-benzimidazol-2-ylamino)-3-hydroxy-1-oxopropan-2-yl]benzamide is O=C(NC(CO)C(=O)Nc1nc2ccccc2[nH]1)c1ccccc1.
What is the InChIKey of N-[1-(1H-benzimidazol-2-ylamino)-3-hydroxy-1-oxopropan-2-yl]benzamide?
The InChIKey is YYCOKLXAKTZBNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16N4O3/c22-10-14(18-15(23)11-6-2-1-3-7-11)16(24)21-17-19-12-8-4-5-9-13(12)20-17/h1-9,14,22H,10H2,(H,18,23)(H2,19,20,21,24).
What are the key properties of N-[1-(1H-benzimidazol-2-ylamino)-3-hydroxy-1-oxopropan-2-yl]benzamide?
N-[1-(1H-benzimidazol-2-ylamino)-3-hydroxy-1-oxopropan-2-yl]benzamide has a molecular weight of 324.34 g/mol, XLogP of 1.29, 5 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]benzamide is sourced from PubChem (CID 3639132), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).