N-[(1R)-1-(1H-benzimidazol-2-yl)-2-methylpropyl]-2-(4-oxo-3H-phthalazin-1-yl)acetamide

C21H21N5O2 — CID 9115115

IUPACN-[(1R)-1-(1H-benzimidazol-2-yl)-2-methylpropyl]-2-(4-oxo-3H-phthalazin-1-yl)acetamide
SMILESCC(C)[C@@H](NC(=O)Cc1n[nH]c(=O)c2ccccc12)c1nc2ccccc2[nH]1
InChIInChI=1S/C21H21N5O2/c1-12(2)19(20-22-15-9-5-6-10-16(15)23-20)24-18(27)11-17-13-7-3-4-8-14(13)21(28)26-25-17/h3-10,12,19H,11H2,1-2H3,(H,22,23)(H,24,27)(H,26,28)/t19-/m1/s1
InChIKeyWLDOELZLKLRVKZ-LJQANCHMSA-N
MW375.43 g/mol
LogP2.86
Rot. Bonds5

About N-[(1R)-1-(1H-benzimidazol-2-yl)-2-methylpropyl]-2-(4-oxo-3H-phthalazin-1-yl)acetamide

N-[(1R)-1-(1H-benzimidazol-2-yl)-2-methylpropyl]-2-(4-oxo-3H-phthalazin-1-yl)acetamide (PubChem CID 9115115) has the molecular formula C21H21N5O2 and a molecular weight of 375.43 g/mol. Its IUPAC name is N-[(1R)-1-(1H-benzimidazol-2-yl)-2-methylpropyl]-2-(4-oxo-3H-phthalazin-1-yl)acetamide.

Molecular Properties

Compound NameN-[(1R)-1-(1H-benzimidazol-2-yl)-2-methylpropyl]-2-(4-oxo-3H-phthalazin-1-yl)acetamide
PubChem CID9115115
Molecular FormulaC21H21N5O2
Molecular Weight375.43 g/mol
Exact Mass375.17
IUPAC NameN-[(1R)-1-(1H-benzimidazol-2-yl)-2-methylpropyl]-2-(4-oxo-3H-phthalazin-1-yl)acetamide
SMILESCC(C)[C@@H](NC(=O)Cc1n[nH]c(=O)c2ccccc12)c1nc2ccccc2[nH]1
InChIInChI=1S/C21H21N5O2/c1-12(2)19(20-22-15-9-5-6-10-16(15)23-20)24-18(27)11-17-13-7-3-4-8-14(13)21(28)26-25-17/h3-10,12,19H,11H2,1-2H3,(H,22,23)(H,24,27)(H,26,28)/t19-/m1/s1
InChIKeyWLDOELZLKLRVKZ-LJQANCHMSA-N
XLogP2.86
TPSA103.53 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.43
LogP ≤ 52.86
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

N-[1-(1H-benzimidazol-2-yl)-2-methylpropyl]butanamide
CID 47100277
N-[1-(1H-benzimidazol-2-yl)-2-methylpropyl]-2-(4-methylphenyl)acetamide
CID 51205905
2-amino-N-[1-(1H-benzimidazol-2-yl)-2-methylpropyl]acetamide
CID 119854033
N-[1-(1H-benzimidazol-2-yl)-2-methylpropyl]-2-(4-methoxyphenyl)acetamide
CID 51158115
N-[(1S)-1-(4-tert-butylphenyl)-2-methylpropyl]-2-(4-oxo-3H-phthalazin-1-yl)acetamide
CID 34078536
N-[(1S)-1-(1H-benzimidazol-2-yl)-2-methylpropyl]-2-(2-oxo-1-pyridinyl)acetamide
CID 9120351
3-amino-N-[1-(1H-benzimidazol-2-yl)-2-methylpropyl]propanamide;dihydrochloride
CID 119854046
N-[1-(1H-benzimidazol-2-yl)-2-methylpropyl]-2-(4-methoxyphenoxy)acetamide
CID 51158137
N-[(1S)-1-(1H-benzimidazol-2-yl)-2-methylpropyl]-2-(2-methoxyphenyl)acetamide
CID 8928025
(2S)-2-[[2-(4-oxo-3H-phthalazin-1-yl)acetyl]amino]propanoic acid
CID 51606533
N-[1-(1H-benzimidazol-2-yl)-2-methylpropyl]-2-methylbutanamide
CID 47141201
N-(6-methylheptan-2-yl)-2-(4-oxo-3H-phthalazin-1-yl)acetamide
CID 52996120

Frequently Asked Questions

What is the IUPAC name of N-[(1R)-1-(1H-benzimidazol-2-yl)-2-methylpropyl]-2-(4-oxo-3H-phthalazin-1-yl)acetamide?
The IUPAC name of N-[(1R)-1-(1H-benzimidazol-2-yl)-2-methylpropyl]-2-(4-oxo-3H-phthalazin-1-yl)acetamide (CID 9115115) is N-[(1R)-1-(1H-benzimidazol-2-yl)-2-methylpropyl]-2-(4-oxo-3H-phthalazin-1-yl)acetamide.
What is the SMILES notation for N-[(1R)-1-(1H-benzimidazol-2-yl)-2-methylpropyl]-2-(4-oxo-3H-phthalazin-1-yl)acetamide?
The canonical SMILES for N-[(1R)-1-(1H-benzimidazol-2-yl)-2-methylpropyl]-2-(4-oxo-3H-phthalazin-1-yl)acetamide is CC(C)[C@@H](NC(=O)Cc1n[nH]c(=O)c2ccccc12)c1nc2ccccc2[nH]1.
What is the InChIKey of N-[(1R)-1-(1H-benzimidazol-2-yl)-2-methylpropyl]-2-(4-oxo-3H-phthalazin-1-yl)acetamide?
The InChIKey is WLDOELZLKLRVKZ-LJQANCHMSA-N. The full InChI is InChI=1S/C21H21N5O2/c1-12(2)19(20-22-15-9-5-6-10-16(15)23-20)24-18(27)11-17-13-7-3-4-8-14(13)21(28)26-25-17/h3-10,12,19H,11H2,1-2H3,(H,22,23)(H,24,27)(H,26,28)/t19-/m1/s1.
What are the key properties of N-[(1R)-1-(1H-benzimidazol-2-yl)-2-methylpropyl]-2-(4-oxo-3H-phthalazin-1-yl)acetamide?
N-[(1R)-1-(1H-benzimidazol-2-yl)-2-methylpropyl]-2-(4-oxo-3H-phthalazin-1-yl)acetamide has a molecular weight of 375.43 g/mol, XLogP of 2.86, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R)-1-(1H-benzimidazol-2-yl)-2-methylpropyl]-2-(4-oxo-3H-phthalazin-1-yl)acetamide is sourced from PubChem (CID 9115115), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).