N-[(2-methylpropan-2-yl)oxy]-3H-benzimidazole-5-carboxamide

C12H15N3O2 — CID 82725393

IUPACN-[(2-methylpropan-2-yl)oxy]-3H-benzimidazole-5-carboxamide
SMILESCC(C)(C)ONC(=O)c1ccc2nc[nH]c2c1
InChIInChI=1S/C12H15N3O2/c1-12(2,3)17-15-11(16)8-4-5-9-10(6-8)14-7-13-9/h4-7H,1-3H3,(H,13,14)(H,15,16)
InChIKeyPQPIGMTYUBLTGW-UHFFFAOYSA-N
MW233.27 g/mol
LogP2.02
Rot. Bonds2

About N-[(2-methylpropan-2-yl)oxy]-3H-benzimidazole-5-carboxamide

N-[(2-methylpropan-2-yl)oxy]-3H-benzimidazole-5-carboxamide (PubChem CID 82725393) has the molecular formula C12H15N3O2 and a molecular weight of 233.27 g/mol. Its IUPAC name is N-[(2-methylpropan-2-yl)oxy]-3H-benzimidazole-5-carboxamide.

Molecular Properties

Compound NameN-[(2-methylpropan-2-yl)oxy]-3H-benzimidazole-5-carboxamide
PubChem CID82725393
Molecular FormulaC12H15N3O2
Molecular Weight233.27 g/mol
Exact Mass233.12
IUPAC NameN-[(2-methylpropan-2-yl)oxy]-3H-benzimidazole-5-carboxamide
SMILESCC(C)(C)ONC(=O)c1ccc2nc[nH]c2c1
InChIInChI=1S/C12H15N3O2/c1-12(2,3)17-15-11(16)8-4-5-9-10(6-8)14-7-13-9/h4-7H,1-3H3,(H,13,14)(H,15,16)
InChIKeyPQPIGMTYUBLTGW-UHFFFAOYSA-N
XLogP2.02
TPSA67.01 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.27
LogP ≤ 52.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-(2-methoxyethoxy)-3H-benzimidazole-5-carboxamide
CID 79679920
2-(3H-benzimidazole-5-carbonylamino)oxyacetic acid
CID 63913822
N-(2-methylpropoxy)-3H-benzimidazole-5-carboxamide
CID 113304625
N-[2-(4-methoxyphenyl)propan-2-yl]-3H-benzimidazole-5-carboxamide
CID 110444797
bis(3H-benzimidazol-5-yl)methanone
CID 71332789
N-(2-amino-2-oxoethyl)-3H-benzimidazole-5-carboxamide
CID 43400555
4-(3H-benzimidazole-5-carbonylamino)-3-hydroxy-3-methylbutanoic acid
CID 66002921
methyl (2S)-2-amino-3-(3H-benzimidazole-5-carbonylamino)propanoate
CID 170637258
N-(1-amino-2-cyclopropylpropan-2-yl)-3H-benzimidazole-5-carboxamide
CID 115307724
N-(2-acetamidoethyl)-3H-benzimidazole-5-carboxamide
CID 43397895
2-(3H-benzimidazole-5-carbonylamino)-2-ethylbutanoic acid
CID 79806287
N-(1-hydroxy-4,4-dimethylpentan-3-yl)-3H-benzimidazole-5-carboxamide
CID 106353049

Frequently Asked Questions

What is the IUPAC name of N-[(2-methylpropan-2-yl)oxy]-3H-benzimidazole-5-carboxamide?
The IUPAC name of N-[(2-methylpropan-2-yl)oxy]-3H-benzimidazole-5-carboxamide (CID 82725393) is N-[(2-methylpropan-2-yl)oxy]-3H-benzimidazole-5-carboxamide.
What is the SMILES notation for N-[(2-methylpropan-2-yl)oxy]-3H-benzimidazole-5-carboxamide?
The canonical SMILES for N-[(2-methylpropan-2-yl)oxy]-3H-benzimidazole-5-carboxamide is CC(C)(C)ONC(=O)c1ccc2nc[nH]c2c1.
What is the InChIKey of N-[(2-methylpropan-2-yl)oxy]-3H-benzimidazole-5-carboxamide?
The InChIKey is PQPIGMTYUBLTGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N3O2/c1-12(2,3)17-15-11(16)8-4-5-9-10(6-8)14-7-13-9/h4-7H,1-3H3,(H,13,14)(H,15,16).
What are the key properties of N-[(2-methylpropan-2-yl)oxy]-3H-benzimidazole-5-carboxamide?
N-[(2-methylpropan-2-yl)oxy]-3H-benzimidazole-5-carboxamide has a molecular weight of 233.27 g/mol, XLogP of 2.02, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-methylpropan-2-yl)oxy]-3H-benzimidazole-5-carboxamide is sourced from PubChem (CID 82725393), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).