N-[1-(1H-benzimidazol-2-ylmethylamino)-3-methyl-1-oxobutan-2-yl]furan-2-carboxamide

C18H20N4O3 — CID 78769855

IUPACN-[1-(1H-benzimidazol-2-ylmethylamino)-3-methyl-1-oxobutan-2-yl]furan-2-carboxamide
SMILESCC(C)C(NC(=O)c1ccco1)C(=O)NCc1nc2ccccc2[nH]1
InChIInChI=1S/C18H20N4O3/c1-11(2)16(22-17(23)14-8-5-9-25-14)18(24)19-10-15-20-12-6-3-4-7-13(12)21-15/h3-9,11,16H,10H2,1-2H3,(H,19,24)(H,20,21)(H,22,23)
InChIKeyFWOIDTSQAHCAGI-UHFFFAOYSA-N
MW340.38 g/mol
LogP2.23
Rot. Bonds6

About N-[1-(1H-benzimidazol-2-ylmethylamino)-3-methyl-1-oxobutan-2-yl]furan-2-carboxamide

N-[1-(1H-benzimidazol-2-ylmethylamino)-3-methyl-1-oxobutan-2-yl]furan-2-carboxamide (PubChem CID 78769855) has the molecular formula C18H20N4O3 and a molecular weight of 340.38 g/mol. Its IUPAC name is N-[1-(1H-benzimidazol-2-ylmethylamino)-3-methyl-1-oxobutan-2-yl]furan-2-carboxamide.

Molecular Properties

Compound NameN-[1-(1H-benzimidazol-2-ylmethylamino)-3-methyl-1-oxobutan-2-yl]furan-2-carboxamide
PubChem CID78769855
Molecular FormulaC18H20N4O3
Molecular Weight340.38 g/mol
Exact Mass340.15
IUPAC NameN-[1-(1H-benzimidazol-2-ylmethylamino)-3-methyl-1-oxobutan-2-yl]furan-2-carboxamide
SMILESCC(C)C(NC(=O)c1ccco1)C(=O)NCc1nc2ccccc2[nH]1
InChIInChI=1S/C18H20N4O3/c1-11(2)16(22-17(23)14-8-5-9-25-14)18(24)19-10-15-20-12-6-3-4-7-13(12)21-15/h3-9,11,16H,10H2,1-2H3,(H,19,24)(H,20,21)(H,22,23)
InChIKeyFWOIDTSQAHCAGI-UHFFFAOYSA-N
XLogP2.23
TPSA100.02 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.38
LogP ≤ 52.23
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(2R)-1-[(4-methoxyphenyl)methylamino]-3-methyl-1-oxobutan-2-yl]furan-2-carboxamide
CID 26002055
N-[(2S)-1-(1H-benzimidazol-2-ylamino)-1-oxopropan-2-yl]furan-2-carboxamide
CID 35808153
N-[(2S)-3-methyl-1-oxo-1-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethylamino)butan-2-yl]furan-2-carboxamide
CID 31282646
N-[1-[2-(1H-benzimidazol-2-yl)ethylamino]-3-methyl-1-oxobutan-2-yl]-4-chlorobenzamide
CID 17449230
N-[(2S)-1-[2-(1H-benzimidazol-2-yl)ethylamino]-3-methyl-1-oxobutan-2-yl]-4-chlorobenzamide
CID 25339429
N-(1H-benzimidazol-2-ylmethyl)-2-methylsulfonylpropanamide
CID 112684952
N-[(2R)-1-[2-(1H-benzimidazol-2-yl)ethylamino]-3-methyl-1-oxobutan-2-yl]thiophene-2-carboxamide
CID 27161634
N-[1-[2-(1H-benzimidazol-2-yl)ethylamino]-3-methyl-1-oxobutan-2-yl]thiophene-2-carboxamide
CID 42919417
N-[(2S)-1-[2-(4-fluorophenyl)ethylamino]-3-methyl-1-oxobutan-2-yl]furan-2-carboxamide
CID 9210434
N-[1-[2-(1H-benzimidazol-2-yl)ethylamino]-3-methyl-1-oxobutan-2-yl]-2-methoxybenzamide
CID 42919415
N-[(2S)-1-(2-benzylsulfanylethylamino)-3-methyl-1-oxobutan-2-yl]furan-2-carboxamide
CID 24548221
N-[(2S)-3-methyl-1-oxo-1-[2-(quinoline-2-carbonyl)hydrazinyl]butan-2-yl]furan-2-carboxamide
CID 35069976

Frequently Asked Questions

What is the IUPAC name of N-[1-(1H-benzimidazol-2-ylmethylamino)-3-methyl-1-oxobutan-2-yl]furan-2-carboxamide?
The IUPAC name of N-[1-(1H-benzimidazol-2-ylmethylamino)-3-methyl-1-oxobutan-2-yl]furan-2-carboxamide (CID 78769855) is N-[1-(1H-benzimidazol-2-ylmethylamino)-3-methyl-1-oxobutan-2-yl]furan-2-carboxamide.
What is the SMILES notation for N-[1-(1H-benzimidazol-2-ylmethylamino)-3-methyl-1-oxobutan-2-yl]furan-2-carboxamide?
The canonical SMILES for N-[1-(1H-benzimidazol-2-ylmethylamino)-3-methyl-1-oxobutan-2-yl]furan-2-carboxamide is CC(C)C(NC(=O)c1ccco1)C(=O)NCc1nc2ccccc2[nH]1.
What is the InChIKey of N-[1-(1H-benzimidazol-2-ylmethylamino)-3-methyl-1-oxobutan-2-yl]furan-2-carboxamide?
The InChIKey is FWOIDTSQAHCAGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N4O3/c1-11(2)16(22-17(23)14-8-5-9-25-14)18(24)19-10-15-20-12-6-3-4-7-13(12)21-15/h3-9,11,16H,10H2,1-2H3,(H,19,24)(H,20,21)(H,22,23).
What are the key properties of N-[1-(1H-benzimidazol-2-ylmethylamino)-3-methyl-1-oxobutan-2-yl]furan-2-carboxamide?
N-[1-(1H-benzimidazol-2-ylmethylamino)-3-methyl-1-oxobutan-2-yl]furan-2-carboxamide has a molecular weight of 340.38 g/mol, XLogP of 2.23, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(1H-benzimidazol-2-ylmethylamino)-3-methyl-1-oxobutan-2-yl]furan-2-carboxamide is sourced from PubChem (CID 78769855), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).