N-[2-(1H-benzimidazol-2-ylmethylamino)-2-oxoethyl]furan-2-carboxamide

C15H14N4O3 — CID 17417192

IUPACN-[2-(1H-benzimidazol-2-ylmethylamino)-2-oxoethyl]furan-2-carboxamide
SMILESO=C(CNC(=O)c1ccco1)NCc1nc2ccccc2[nH]1
InChIInChI=1S/C15H14N4O3/c20-14(9-17-15(21)12-6-3-7-22-12)16-8-13-18-10-4-1-2-5-11(10)19-13/h1-7H,8-9H2,(H,16,20)(H,17,21)(H,18,19)
InChIKeyBDJLIQIBYXIELR-UHFFFAOYSA-N
MW298.30 g/mol
LogP1.20
Rot. Bonds5

About N-[2-(1H-benzimidazol-2-ylmethylamino)-2-oxoethyl]furan-2-carboxamide

N-[2-(1H-benzimidazol-2-ylmethylamino)-2-oxoethyl]furan-2-carboxamide (PubChem CID 17417192) has the molecular formula C15H14N4O3 and a molecular weight of 298.30 g/mol. Its IUPAC name is N-[2-(1H-benzimidazol-2-ylmethylamino)-2-oxoethyl]furan-2-carboxamide.

Molecular Properties

Compound NameN-[2-(1H-benzimidazol-2-ylmethylamino)-2-oxoethyl]furan-2-carboxamide
PubChem CID17417192
Molecular FormulaC15H14N4O3
Molecular Weight298.30 g/mol
Exact Mass298.11
IUPAC NameN-[2-(1H-benzimidazol-2-ylmethylamino)-2-oxoethyl]furan-2-carboxamide
SMILESO=C(CNC(=O)c1ccco1)NCc1nc2ccccc2[nH]1
InChIInChI=1S/C15H14N4O3/c20-14(9-17-15(21)12-6-3-7-22-12)16-8-13-18-10-4-1-2-5-11(10)19-13/h1-7H,8-9H2,(H,16,20)(H,17,21)(H,18,19)
InChIKeyBDJLIQIBYXIELR-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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Frequently Asked Questions

What is the IUPAC name of N-[2-(1H-benzimidazol-2-ylmethylamino)-2-oxoethyl]furan-2-carboxamide?
The IUPAC name of N-[2-(1H-benzimidazol-2-ylmethylamino)-2-oxoethyl]furan-2-carboxamide (CID 17417192) is N-[2-(1H-benzimidazol-2-ylmethylamino)-2-oxoethyl]furan-2-carboxamide.
What is the SMILES notation for N-[2-(1H-benzimidazol-2-ylmethylamino)-2-oxoethyl]furan-2-carboxamide?
The canonical SMILES for N-[2-(1H-benzimidazol-2-ylmethylamino)-2-oxoethyl]furan-2-carboxamide is O=C(CNC(=O)c1ccco1)NCc1nc2ccccc2[nH]1.
What is the InChIKey of N-[2-(1H-benzimidazol-2-ylmethylamino)-2-oxoethyl]furan-2-carboxamide?
The InChIKey is BDJLIQIBYXIELR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14N4O3/c20-14(9-17-15(21)12-6-3-7-22-12)16-8-13-18-10-4-1-2-5-11(10)19-13/h1-7H,8-9H2,(H,16,20)(H,17,21)(H,18,19).
What are the key properties of N-[2-(1H-benzimidazol-2-ylmethylamino)-2-oxoethyl]furan-2-carboxamide?
N-[2-(1H-benzimidazol-2-ylmethylamino)-2-oxoethyl]furan-2-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-(1H-benzimidazol-2-ylmethylamino)-2-oxoethyl]furan-2-carboxamide is sourced from PubChem (CID 17417192), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).