N-[2-(furan-2-ylmethylamino)-2-oxoethyl]-3H-benzimidazole-5-carboxamide

C15H14N4O3 — CID 31638485

IUPACN-[2-(furan-2-ylmethylamino)-2-oxoethyl]-3H-benzimidazole-5-carboxamide
SMILESO=C(CNC(=O)c1ccc2nc[nH]c2c1)NCc1ccco1
InChIInChI=1S/C15H14N4O3/c20-14(16-7-11-2-1-5-22-11)8-17-15(21)10-3-4-12-13(6-10)19-9-18-12/h1-6,9H,7-8H2,(H,16,20)(H,17,21)(H,18,19)
InChIKeyOTQFYEHLGWEBKV-UHFFFAOYSA-N
MW298.30 g/mol
LogP1.20
Rot. Bonds5

About N-[2-(furan-2-ylmethylamino)-2-oxoethyl]-3H-benzimidazole-5-carboxamide

N-[2-(furan-2-ylmethylamino)-2-oxoethyl]-3H-benzimidazole-5-carboxamide (PubChem CID 31638485) has the molecular formula C15H14N4O3 and a molecular weight of 298.30 g/mol. Its IUPAC name is N-[2-(furan-2-ylmethylamino)-2-oxoethyl]-3H-benzimidazole-5-carboxamide.

Molecular Properties

Compound NameN-[2-(furan-2-ylmethylamino)-2-oxoethyl]-3H-benzimidazole-5-carboxamide
PubChem CID31638485
Molecular FormulaC15H14N4O3
Molecular Weight298.30 g/mol
Exact Mass298.11
IUPAC NameN-[2-(furan-2-ylmethylamino)-2-oxoethyl]-3H-benzimidazole-5-carboxamide
SMILESO=C(CNC(=O)c1ccc2nc[nH]c2c1)NCc1ccco1
InChIInChI=1S/C15H14N4O3/c20-14(16-7-11-2-1-5-22-11)8-17-15(21)10-3-4-12-13(6-10)19-9-18-12/h1-6,9H,7-8H2,(H,16,20)(H,17,21)(H,18,19)
InChIKeyOTQFYEHLGWEBKV-UHFFFAOYSA-N
XLogP1.20
TPSA100.02 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.30
LogP ≤ 51.20
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-(3H-benzimidazol-5-ylmethylamino)-2-oxoethyl]benzamide
CID 110794693
N-(2-amino-2-oxoethyl)-3H-benzimidazole-5-carboxamide
CID 43400555
N-[2-[[2-(furan-2-ylmethylamino)-2-oxoethyl]amino]-2-oxoethyl]-3-methylbenzamide
CID 9079684
N-[2-(furan-2-ylmethylamino)-2-oxoethyl]-1,3-benzodioxole-5-carboxamide
CID 17439553
4-ethyl-N-[2-(furan-2-ylmethylamino)-2-oxoethyl]benzamide
CID 17395333
1-N,3-N-bis(furan-2-ylmethyl)benzene-1,3-dicarboxamide
CID 743261
N-[2-(furan-2-ylmethylamino)-2-oxoethyl]-3-oxo-4H-1,4-benzothiazine-6-carboxamide
CID 31638116
4-chloro-N-[2-(furan-2-ylmethylamino)-2-oxoethyl]-1H-pyrrole-2-carboxamide
CID 18150991
N-[2-(furan-2-ylmethylamino)-2-oxoethyl]-4-propoxybenzamide
CID 18118956
4-(dimethylsulfamoyl)-N-[2-(furan-2-ylmethylamino)-2-oxoethyl]benzamide
CID 18118985
4-(2-amino-2-oxoethoxy)-N-[2-(furan-2-ylmethylamino)-2-oxoethyl]-3-methoxybenzamide
CID 9081389
N-[2-(diaminomethylideneamino)ethyl]-3H-benzimidazole-5-carboxamide
CID 151125150

Frequently Asked Questions

What is the IUPAC name of N-[2-(furan-2-ylmethylamino)-2-oxoethyl]-3H-benzimidazole-5-carboxamide?
The IUPAC name of N-[2-(furan-2-ylmethylamino)-2-oxoethyl]-3H-benzimidazole-5-carboxamide (CID 31638485) is N-[2-(furan-2-ylmethylamino)-2-oxoethyl]-3H-benzimidazole-5-carboxamide.
What is the SMILES notation for N-[2-(furan-2-ylmethylamino)-2-oxoethyl]-3H-benzimidazole-5-carboxamide?
The canonical SMILES for N-[2-(furan-2-ylmethylamino)-2-oxoethyl]-3H-benzimidazole-5-carboxamide is O=C(CNC(=O)c1ccc2nc[nH]c2c1)NCc1ccco1.
What is the InChIKey of N-[2-(furan-2-ylmethylamino)-2-oxoethyl]-3H-benzimidazole-5-carboxamide?
The InChIKey is OTQFYEHLGWEBKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14N4O3/c20-14(16-7-11-2-1-5-22-11)8-17-15(21)10-3-4-12-13(6-10)19-9-18-12/h1-6,9H,7-8H2,(H,16,20)(H,17,21)(H,18,19).
What are the key properties of N-[2-(furan-2-ylmethylamino)-2-oxoethyl]-3H-benzimidazole-5-carboxamide?
N-[2-(furan-2-ylmethylamino)-2-oxoethyl]-3H-benzimidazole-5-carboxamide has a molecular weight of 298.30 g/mol, XLogP of 1.20, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(furan-2-ylmethylamino)-2-oxoethyl]-3H-benzimidazole-5-carboxamide is sourced from PubChem (CID 31638485), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).