N-(2-methylpropoxy)-3H-benzimidazole-5-carboxamide

C12H15N3O2 — CID 113304625

IUPACN-(2-methylpropoxy)-3H-benzimidazole-5-carboxamide
SMILESCC(C)CONC(=O)c1ccc2nc[nH]c2c1
InChIInChI=1S/C12H15N3O2/c1-8(2)6-17-15-12(16)9-3-4-10-11(5-9)14-7-13-10/h3-5,7-8H,6H2,1-2H3,(H,13,14)(H,15,16)
InChIKeyLCCMGIZTJQFUHP-UHFFFAOYSA-N
MW233.27 g/mol
LogP1.88
Rot. Bonds4

About N-(2-methylpropoxy)-3H-benzimidazole-5-carboxamide

N-(2-methylpropoxy)-3H-benzimidazole-5-carboxamide (PubChem CID 113304625) has the molecular formula C12H15N3O2 and a molecular weight of 233.27 g/mol. Its IUPAC name is N-(2-methylpropoxy)-3H-benzimidazole-5-carboxamide.

Molecular Properties

Compound NameN-(2-methylpropoxy)-3H-benzimidazole-5-carboxamide
PubChem CID113304625
Molecular FormulaC12H15N3O2
Molecular Weight233.27 g/mol
Exact Mass233.12
IUPAC NameN-(2-methylpropoxy)-3H-benzimidazole-5-carboxamide
SMILESCC(C)CONC(=O)c1ccc2nc[nH]c2c1
InChIInChI=1S/C12H15N3O2/c1-8(2)6-17-15-12(16)9-3-4-10-11(5-9)14-7-13-10/h3-5,7-8H,6H2,1-2H3,(H,13,14)(H,15,16)
InChIKeyLCCMGIZTJQFUHP-UHFFFAOYSA-N
XLogP1.88
TPSA67.01 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.27
LogP ≤ 51.88
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)quinoxaline-6-carboxamide
CID 113304462
N-(6-methylheptan-2-yl)-3H-benzimidazole-5-carboxamide
CID 47105831
N-[(2-methylpropan-2-yl)oxy]-3H-benzimidazole-5-carboxamide
CID 82725393
methyl (2S)-2-amino-3-(3H-benzimidazole-5-carbonylamino)propanoate
CID 170637258
N-(2-acetamidoethyl)-3H-benzimidazole-5-carboxamide
CID 43397895
N-[2-[methyl(propan-2-yl)amino]ethyl]-3H-benzimidazole-5-carboxamide
CID 62635083
2-(3H-benzimidazole-5-carbonylamino)-3-methylpentanoic acid
CID 24703750
3,4-dichloro-N-(2-methylpropoxy)benzamide
CID 115409805
N-(2-aminobutyl)-3H-benzimidazole-5-carboxamide
CID 63731791
methyl (2S)-3-(3H-benzimidazole-5-carbonylamino)-2-(methylamino)propanoate
CID 170637256

Frequently Asked Questions

What is the IUPAC name of N-(2-methylpropoxy)-3H-benzimidazole-5-carboxamide?
The IUPAC name of N-(2-methylpropoxy)-3H-benzimidazole-5-carboxamide (CID 113304625) is N-(2-methylpropoxy)-3H-benzimidazole-5-carboxamide.
What is the SMILES notation for N-(2-methylpropoxy)-3H-benzimidazole-5-carboxamide?
The canonical SMILES for N-(2-methylpropoxy)-3H-benzimidazole-5-carboxamide is CC(C)CONC(=O)c1ccc2nc[nH]c2c1.
What is the InChIKey of N-(2-methylpropoxy)-3H-benzimidazole-5-carboxamide?
The InChIKey is LCCMGIZTJQFUHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N3O2/c1-8(2)6-17-15-12(16)9-3-4-10-11(5-9)14-7-13-10/h3-5,7-8H,6H2,1-2H3,(H,13,14)(H,15,16).
What are the key properties of N-(2-methylpropoxy)-3H-benzimidazole-5-carboxamide?
N-(2-methylpropoxy)-3H-benzimidazole-5-carboxamide has a molecular weight of 233.27 g/mol, XLogP of 1.88, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methylpropoxy)-3H-benzimidazole-5-carboxamide is sourced from PubChem (CID 113304625), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).