N-[(2S)-1-(1H-benzimidazol-2-ylamino)-3-hydroxy-1-oxopropan-2-yl]-2H-benzotriazole-5-carboxamide

C17H15N7O3 — CID 6723713

IUPACN-[(2S)-1-(1H-benzimidazol-2-ylamino)-3-hydroxy-1-oxopropan-2-yl]-2H-benzotriazole-5-carboxamide
SMILESO=C(N[C@@H](CO)C(=O)Nc1nc2ccccc2[nH]1)c1ccc2n[nH]nc2c1
InChIInChI=1S/C17H15N7O3/c25-8-14(16(27)21-17-19-10-3-1-2-4-11(10)20-17)18-15(26)9-5-6-12-13(7-9)23-24-22-12/h1-7,14,25H,8H2,(H,18,26)(H,22,23,24)(H2,19,20,21,27)/t14-/m0/s1
InChIKeyJBWKIJUBIHKRRI-AWEZNQCLSA-N
MW365.35 g/mol
LogP0.56
Rot. Bonds5

About N-[(2S)-1-(1H-benzimidazol-2-ylamino)-3-hydroxy-1-oxopropan-2-yl]-2H-benzotriazole-5-carboxamide

N-[(2S)-1-(1H-benzimidazol-2-ylamino)-3-hydroxy-1-oxopropan-2-yl]-2H-benzotriazole-5-carboxamide (PubChem CID 6723713) has the molecular formula C17H15N7O3 and a molecular weight of 365.35 g/mol. Its IUPAC name is N-[(2S)-1-(1H-benzimidazol-2-ylamino)-3-hydroxy-1-oxopropan-2-yl]-2H-benzotriazole-5-carboxamide.

Molecular Properties

Compound NameN-[(2S)-1-(1H-benzimidazol-2-ylamino)-3-hydroxy-1-oxopropan-2-yl]-2H-benzotriazole-5-carboxamide
PubChem CID6723713
Molecular FormulaC17H15N7O3
Molecular Weight365.35 g/mol
Exact Mass365.12
IUPAC NameN-[(2S)-1-(1H-benzimidazol-2-ylamino)-3-hydroxy-1-oxopropan-2-yl]-2H-benzotriazole-5-carboxamide
SMILESO=C(N[C@@H](CO)C(=O)Nc1nc2ccccc2[nH]1)c1ccc2n[nH]nc2c1
InChIInChI=1S/C17H15N7O3/c25-8-14(16(27)21-17-19-10-3-1-2-4-11(10)20-17)18-15(26)9-5-6-12-13(7-9)23-24-22-12/h1-7,14,25H,8H2,(H,18,26)(H,22,23,24)(H2,19,20,21,27)/t14-/m0/s1
InChIKeyJBWKIJUBIHKRRI-AWEZNQCLSA-N
XLogP0.56
TPSA148.68 Ų
H-Bond Donors5
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.35
LogP ≤ 50.56
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 106

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Related Compounds

N-[1-(1H-benzimidazol-2-ylamino)-3-hydroxy-1-oxopropan-2-yl]benzamide
CID 3639132
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]-1,3-benzodioxole-5-carboxamide
CID 6723555
N-[3-hydroxy-1-oxo-1-(1,3-thiazol-2-ylamino)propan-2-yl]-2H-benzotriazole-5-carboxamide
CID 6415129
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-[1-(1H-benzimidazol-2-ylamino)-4-methyl-1-oxopentan-2-yl]-3,4,5-trimethoxybenzamide
CID 53199794
2-(2H-benzotriazole-5-carbonylamino)-4-hydroxybutanoic acid
CID 61243320
N-[(2S)-1-(1H-benzimidazol-2-ylamino)-4-methyl-1-oxopentan-2-yl]-2-methylbenzamide
CID 27649409
N-[(2S)-1-(3,4-dihydro-1H-isoquinolin-2-yl)-3-hydroxy-1-oxopropan-2-yl]-2H-benzotriazole-5-carboxamide
CID 6723715
N-[1-(1H-benzimidazol-2-ylamino)-4-methyl-1-oxopentan-2-yl]-2,4-dichlorobenzamide
CID 43002570
3-amino-N-(1H-benzimidazol-2-yl)benzamide
CID 62060005

Frequently Asked Questions

What is the IUPAC name of N-[(2S)-1-(1H-benzimidazol-2-ylamino)-3-hydroxy-1-oxopropan-2-yl]-2H-benzotriazole-5-carboxamide?
The IUPAC name of N-[(2S)-1-(1H-benzimidazol-2-ylamino)-3-hydroxy-1-oxopropan-2-yl]-2H-benzotriazole-5-carboxamide (CID 6723713) is N-[(2S)-1-(1H-benzimidazol-2-ylamino)-3-hydroxy-1-oxopropan-2-yl]-2H-benzotriazole-5-carboxamide.
What is the SMILES notation for N-[(2S)-1-(1H-benzimidazol-2-ylamino)-3-hydroxy-1-oxopropan-2-yl]-2H-benzotriazole-5-carboxamide?
The canonical SMILES for N-[(2S)-1-(1H-benzimidazol-2-ylamino)-3-hydroxy-1-oxopropan-2-yl]-2H-benzotriazole-5-carboxamide is O=C(N[C@@H](CO)C(=O)Nc1nc2ccccc2[nH]1)c1ccc2n[nH]nc2c1.
What is the InChIKey of N-[(2S)-1-(1H-benzimidazol-2-ylamino)-3-hydroxy-1-oxopropan-2-yl]-2H-benzotriazole-5-carboxamide?
The InChIKey is JBWKIJUBIHKRRI-AWEZNQCLSA-N. The full InChI is InChI=1S/C17H15N7O3/c25-8-14(16(27)21-17-19-10-3-1-2-4-11(10)20-17)18-15(26)9-5-6-12-13(7-9)23-24-22-12/h1-7,14,25H,8H2,(H,18,26)(H,22,23,24)(H2,19,20,21,27)/t14-/m0/s1.
What are the key properties of N-[(2S)-1-(1H-benzimidazol-2-ylamino)-3-hydroxy-1-oxopropan-2-yl]-2H-benzotriazole-5-carboxamide?
N-[(2S)-1-(1H-benzimidazol-2-ylamino)-3-hydroxy-1-oxopropan-2-yl]-2H-benzotriazole-5-carboxamide has a molecular weight of 365.35 g/mol, XLogP of 0.56, 5 rotatable bonds, 5 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S)-1-(1H-benzimidazol-2-ylamino)-3-hydroxy-1-oxopropan-2-yl]-2H-benzotriazole-5-carboxamide is sourced from PubChem (CID 6723713), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).