N-[(2R)-1-(dimethylamino)-1-oxopropan-2-yl]-3H-benzimidazole-5-carboxamide

C13H16N4O2 — CID 93185873

IUPACN-[(2R)-1-(dimethylamino)-1-oxopropan-2-yl]-3H-benzimidazole-5-carboxamide
SMILESC[C@@H](NC(=O)c1ccc2nc[nH]c2c1)C(=O)N(C)C
InChIInChI=1S/C13H16N4O2/c1-8(13(19)17(2)3)16-12(18)9-4-5-10-11(6-9)15-7-14-10/h4-8H,1-3H3,(H,14,15)(H,16,18)/t8-/m1/s1
InChIKeyNQDWYWPMTBQQFX-MRVPVSSYSA-N
MW260.30 g/mol
LogP0.77
Rot. Bonds3

About N-[(2R)-1-(dimethylamino)-1-oxopropan-2-yl]-3H-benzimidazole-5-carboxamide

N-[(2R)-1-(dimethylamino)-1-oxopropan-2-yl]-3H-benzimidazole-5-carboxamide (PubChem CID 93185873) has the molecular formula C13H16N4O2 and a molecular weight of 260.30 g/mol. Its IUPAC name is N-[(2R)-1-(dimethylamino)-1-oxopropan-2-yl]-3H-benzimidazole-5-carboxamide.

Molecular Properties

Compound NameN-[(2R)-1-(dimethylamino)-1-oxopropan-2-yl]-3H-benzimidazole-5-carboxamide
PubChem CID93185873
Molecular FormulaC13H16N4O2
Molecular Weight260.30 g/mol
Exact Mass260.13
IUPAC NameN-[(2R)-1-(dimethylamino)-1-oxopropan-2-yl]-3H-benzimidazole-5-carboxamide
SMILESC[C@@H](NC(=O)c1ccc2nc[nH]c2c1)C(=O)N(C)C
InChIInChI=1S/C13H16N4O2/c1-8(13(19)17(2)3)16-12(18)9-4-5-10-11(6-9)15-7-14-10/h4-8H,1-3H3,(H,14,15)(H,16,18)/t8-/m1/s1
InChIKeyNQDWYWPMTBQQFX-MRVPVSSYSA-N
XLogP0.77
TPSA78.09 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.30
LogP ≤ 50.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-(3H-benzimidazole-5-carbonylamino)-3-methylbutanoic acid
CID 24700991
N-(6-methylheptan-2-yl)-3H-benzimidazole-5-carboxamide
CID 47105831
N-methyl-N-propan-2-yl-3H-benzimidazole-5-carboxamide
CID 43420531
N-(1-phenylpropan-2-yl)-3H-benzimidazole-5-carboxamide
CID 63012845
N-(1-hydroxy-4-methylpentan-3-yl)-3H-benzimidazole-5-carboxamide
CID 103852402
N-[2-[methyl(propan-2-yl)amino]ethyl]-3H-benzimidazole-5-carboxamide
CID 62635083
2-(3H-benzimidazole-5-carbonylamino)-3-methylpentanoic acid
CID 24703750
N-[1-(3-chlorophenyl)ethyl]-3H-benzimidazole-5-carboxamide
CID 42905894
N-[(2R)-1-(2,2,2-trifluoroethoxy)propan-2-yl]-3H-benzimidazole-5-carboxamide
CID 94798374
N-(2-methylsulfinyl-1-phenylethyl)-3H-benzimidazole-5-carboxamide
CID 71980141
N-(2-methylpropoxy)-3H-benzimidazole-5-carboxamide
CID 113304625
N-(1-hydroxy-4,4-dimethylpentan-3-yl)-3H-benzimidazole-5-carboxamide
CID 106353049

Frequently Asked Questions

What is the IUPAC name of N-[(2R)-1-(dimethylamino)-1-oxopropan-2-yl]-3H-benzimidazole-5-carboxamide?
The IUPAC name of N-[(2R)-1-(dimethylamino)-1-oxopropan-2-yl]-3H-benzimidazole-5-carboxamide (CID 93185873) is N-[(2R)-1-(dimethylamino)-1-oxopropan-2-yl]-3H-benzimidazole-5-carboxamide.
What is the SMILES notation for N-[(2R)-1-(dimethylamino)-1-oxopropan-2-yl]-3H-benzimidazole-5-carboxamide?
The canonical SMILES for N-[(2R)-1-(dimethylamino)-1-oxopropan-2-yl]-3H-benzimidazole-5-carboxamide is C[C@@H](NC(=O)c1ccc2nc[nH]c2c1)C(=O)N(C)C.
What is the InChIKey of N-[(2R)-1-(dimethylamino)-1-oxopropan-2-yl]-3H-benzimidazole-5-carboxamide?
The InChIKey is NQDWYWPMTBQQFX-MRVPVSSYSA-N. The full InChI is InChI=1S/C13H16N4O2/c1-8(13(19)17(2)3)16-12(18)9-4-5-10-11(6-9)15-7-14-10/h4-8H,1-3H3,(H,14,15)(H,16,18)/t8-/m1/s1.
What are the key properties of N-[(2R)-1-(dimethylamino)-1-oxopropan-2-yl]-3H-benzimidazole-5-carboxamide?
N-[(2R)-1-(dimethylamino)-1-oxopropan-2-yl]-3H-benzimidazole-5-carboxamide has a molecular weight of 260.30 g/mol, XLogP of 0.77, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2R)-1-(dimethylamino)-1-oxopropan-2-yl]-3H-benzimidazole-5-carboxamide is sourced from PubChem (CID 93185873), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).