methyl 1-[[2-(furan-2-yl)-3H-benzimidazol-5-yl]carbamoyl]cyclopropane-1-carboxylate

C17H15N3O4 — CID 86795214

IUPACmethyl 1-[[2-(furan-2-yl)-3H-benzimidazol-5-yl]carbamoyl]cyclopropane-1-carboxylate
SMILESCOC(=O)C1(C(=O)Nc2ccc3nc(-c4ccco4)[nH]c3c2)CC1
InChIInChI=1S/C17H15N3O4/c1-23-16(22)17(6-7-17)15(21)18-10-4-5-11-12(9-10)20-14(19-11)13-3-2-8-24-13/h2-5,8-9H,6-7H2,1H3,(H,18,21)(H,19,20)
InChIKeyVFNUUCOAHZIAGX-UHFFFAOYSA-N
MW325.32 g/mol
LogP2.71
Rot. Bonds4

About methyl 1-[[2-(furan-2-yl)-3H-benzimidazol-5-yl]carbamoyl]cyclopropane-1-carboxylate

methyl 1-[[2-(furan-2-yl)-3H-benzimidazol-5-yl]carbamoyl]cyclopropane-1-carboxylate (PubChem CID 86795214) has the molecular formula C17H15N3O4 and a molecular weight of 325.32 g/mol. Its IUPAC name is methyl 1-[[2-(furan-2-yl)-3H-benzimidazol-5-yl]carbamoyl]cyclopropane-1-carboxylate.

Molecular Properties

Compound Namemethyl 1-[[2-(furan-2-yl)-3H-benzimidazol-5-yl]carbamoyl]cyclopropane-1-carboxylate
PubChem CID86795214
Molecular FormulaC17H15N3O4
Molecular Weight325.32 g/mol
Exact Mass325.11
IUPAC Namemethyl 1-[[2-(furan-2-yl)-3H-benzimidazol-5-yl]carbamoyl]cyclopropane-1-carboxylate
SMILESCOC(=O)C1(C(=O)Nc2ccc3nc(-c4ccco4)[nH]c3c2)CC1
InChIInChI=1S/C17H15N3O4/c1-23-16(22)17(6-7-17)15(21)18-10-4-5-11-12(9-10)20-14(19-11)13-3-2-8-24-13/h2-5,8-9H,6-7H2,1H3,(H,18,21)(H,19,20)
InChIKeyVFNUUCOAHZIAGX-UHFFFAOYSA-N
XLogP2.71
TPSA97.22 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.32
LogP ≤ 52.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Related Compounds

N-[2-(furan-2-yl)-3H-benzimidazol-5-yl]-1-azabicyclo[3.2.1]octane-5-carboxamide
CID 154832236
N-[2-(furan-2-yl)-3H-benzimidazol-5-yl]-6-methylpyridazine-4-carboxamide
CID 99790473
N-[2-(furan-2-yl)-3H-benzimidazol-5-yl]-5-nitrofuran-2-carboxamide
CID 60557174
4-ethyl-N-[2-(furan-2-yl)-3H-benzimidazol-5-yl]thiadiazole-5-carboxamide
CID 47067261
2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[2-(furan-2-yl)-3H-benzimidazol-5-yl]acetamide
CID 119843774
2-(2-chloro-4-methylphenyl)-N-[2-(furan-2-yl)-3H-benzimidazol-5-yl]acetamide
CID 155963168
N-[4-[[2-(furan-2-yl)-3H-benzimidazol-5-yl]carbamoyl]phenyl]thiophene-2-carboxamide
CID 55863771
4-fluoro-N-[2-(furan-2-yl)-3H-benzimidazol-5-yl]-2-iodobenzamide
CID 55946378
3-(diethylsulfamoyl)-N-[2-(furan-2-yl)-3H-benzimidazol-5-yl]benzamide
CID 60526245
N-[2-(furan-2-yl)-3H-benzimidazol-5-yl]-4-(pyrazol-1-ylmethyl)benzamide
CID 52692587
3-[3-(4-ethoxyphenyl)-1,2,4-oxadiazol-5-yl]-N-[2-(furan-2-yl)-3H-benzimidazol-5-yl]propanamide
CID 55863007
2-(furan-2-yl)-6-[2-(furan-2-yl)-3H-benzimidazol-5-yl]-1H-benzimidazole
CID 57047313

Frequently Asked Questions

What is the IUPAC name of methyl 1-[[2-(furan-2-yl)-3H-benzimidazol-5-yl]carbamoyl]cyclopropane-1-carboxylate?
The IUPAC name of methyl 1-[[2-(furan-2-yl)-3H-benzimidazol-5-yl]carbamoyl]cyclopropane-1-carboxylate (CID 86795214) is methyl 1-[[2-(furan-2-yl)-3H-benzimidazol-5-yl]carbamoyl]cyclopropane-1-carboxylate.
What is the SMILES notation for methyl 1-[[2-(furan-2-yl)-3H-benzimidazol-5-yl]carbamoyl]cyclopropane-1-carboxylate?
The canonical SMILES for methyl 1-[[2-(furan-2-yl)-3H-benzimidazol-5-yl]carbamoyl]cyclopropane-1-carboxylate is COC(=O)C1(C(=O)Nc2ccc3nc(-c4ccco4)[nH]c3c2)CC1.
What is the InChIKey of methyl 1-[[2-(furan-2-yl)-3H-benzimidazol-5-yl]carbamoyl]cyclopropane-1-carboxylate?
The InChIKey is VFNUUCOAHZIAGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15N3O4/c1-23-16(22)17(6-7-17)15(21)18-10-4-5-11-12(9-10)20-14(19-11)13-3-2-8-24-13/h2-5,8-9H,6-7H2,1H3,(H,18,21)(H,19,20).
What are the key properties of methyl 1-[[2-(furan-2-yl)-3H-benzimidazol-5-yl]carbamoyl]cyclopropane-1-carboxylate?
methyl 1-[[2-(furan-2-yl)-3H-benzimidazol-5-yl]carbamoyl]cyclopropane-1-carboxylate has a molecular weight of 325.32 g/mol, XLogP of 2.71, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 1-[[2-(furan-2-yl)-3H-benzimidazol-5-yl]carbamoyl]cyclopropane-1-carboxylate is sourced from PubChem (CID 86795214), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).