4-cyclobutyloxy-1H-benzimidazole;N-(1H-imidazol-2-yl)formamide

C15H17N5O2 — CID 142323097

IUPAC4-cyclobutyloxy-1H-benzimidazole;N-(1H-imidazol-2-yl)formamide
SMILESO=CNc1ncc[nH]1.c1cc(OC2CCC2)c2nc[nH]c2c1
InChIInChI=1S/C11H12N2O.C4H5N3O/c1-3-8(4-1)14-10-6-2-5-9-11(10)13-7-12-9;8-3-7-4-5-1-2-6-4/h2,5-8H,1,3-4H2,(H,12,13);1-3H,(H2,5,6,7,8)
InChIKeyQWHIHTLZQHGUCM-UHFFFAOYSA-N
MW299.33 g/mol
LogP2.47
Rot. Bonds4

About 4-cyclobutyloxy-1H-benzimidazole;N-(1H-imidazol-2-yl)formamide

4-cyclobutyloxy-1H-benzimidazole;N-(1H-imidazol-2-yl)formamide (PubChem CID 142323097) has the molecular formula C15H17N5O2 and a molecular weight of 299.33 g/mol. Its IUPAC name is 4-cyclobutyloxy-1H-benzimidazole;N-(1H-imidazol-2-yl)formamide.

Molecular Properties

Compound Name4-cyclobutyloxy-1H-benzimidazole;N-(1H-imidazol-2-yl)formamide
PubChem CID142323097
Molecular FormulaC15H17N5O2
Molecular Weight299.33 g/mol
Exact Mass299.14
IUPAC Name4-cyclobutyloxy-1H-benzimidazole;N-(1H-imidazol-2-yl)formamide
SMILESO=CNc1ncc[nH]1.c1cc(OC2CCC2)c2nc[nH]c2c1
InChIInChI=1S/C11H12N2O.C4H5N3O/c1-3-8(4-1)14-10-6-2-5-9-11(10)13-7-12-9;8-3-7-4-5-1-2-6-4/h2,5-8H,1,3-4H2,(H,12,13);1-3H,(H2,5,6,7,8)
InChIKeyQWHIHTLZQHGUCM-UHFFFAOYSA-N
XLogP2.47
TPSA95.69 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.33
LogP ≤ 52.47
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Related Compounds

3-cyclobutyloxybenzene-1,2-diamine;N-(1H-imidazol-2-yl)formamide
CID 142323170
N-(1H-benzimidazol-4-yl)formamide
CID 15710577
4-(piperidin-4-ylmethoxy)-1H-benzimidazole
CID 84694709
N-(5-acetyl-1,3-oxazol-2-yl)formamide;8-cyclobutyloxyquinoline
CID 142323127
2-(1H-benzimidazol-4-yloxy)ethanol
CID 70333523
N-cyclopropyl-1H-benzimidazole-4-carboxamide
CID 110700811
2-cyclobutyl-N-(1H-imidazol-2-yl)acetamide
CID 103710639
1-cyclohexyloxycarbonyloxyethyl 1H-benzimidazole-4-carboxylate
CID 69396926
N-[2-(3-cyclopentyloxy-4-methoxyphenyl)-1H-imidazol-5-yl]formamide
CID 57122404
N-ethenyl-1H-imidazol-2-amine
CID 119083694
8-[(3R)-piperidin-3-yl]oxyquinoline
CID 26191562
1,2-dichloro-3-cyclobutyloxybenzene
CID 130038402

Frequently Asked Questions

What is the IUPAC name of 4-cyclobutyloxy-1H-benzimidazole;N-(1H-imidazol-2-yl)formamide?
The IUPAC name of 4-cyclobutyloxy-1H-benzimidazole;N-(1H-imidazol-2-yl)formamide (CID 142323097) is 4-cyclobutyloxy-1H-benzimidazole;N-(1H-imidazol-2-yl)formamide.
What is the SMILES notation for 4-cyclobutyloxy-1H-benzimidazole;N-(1H-imidazol-2-yl)formamide?
The canonical SMILES for 4-cyclobutyloxy-1H-benzimidazole;N-(1H-imidazol-2-yl)formamide is O=CNc1ncc[nH]1.c1cc(OC2CCC2)c2nc[nH]c2c1.
What is the InChIKey of 4-cyclobutyloxy-1H-benzimidazole;N-(1H-imidazol-2-yl)formamide?
The InChIKey is QWHIHTLZQHGUCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12N2O.C4H5N3O/c1-3-8(4-1)14-10-6-2-5-9-11(10)13-7-12-9;8-3-7-4-5-1-2-6-4/h2,5-8H,1,3-4H2,(H,12,13);1-3H,(H2,5,6,7,8).
What are the key properties of 4-cyclobutyloxy-1H-benzimidazole;N-(1H-imidazol-2-yl)formamide?
4-cyclobutyloxy-1H-benzimidazole;N-(1H-imidazol-2-yl)formamide has a molecular weight of 299.33 g/mol, XLogP of 2.47, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-cyclobutyloxy-1H-benzimidazole;N-(1H-imidazol-2-yl)formamide is sourced from PubChem (CID 142323097), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).