5-(2-acetamido-3H-benzimidazol-5-yl)-N-[1-cyclohexyl-2-(methylamino)-2-oxoethyl]furan-2-carboxamide

C23H27N5O4 — CID 77185504

IUPAC5-(2-acetamido-3H-benzimidazol-5-yl)-N-[1-cyclohexyl-2-(methylamino)-2-oxoethyl]furan-2-carboxamide
SMILESCNC(=O)C(NC(=O)c1ccc(-c2ccc3nc(NC(C)=O)[nH]c3c2)o1)C1CCCCC1
InChIInChI=1S/C23H27N5O4/c1-13(29)25-23-26-16-9-8-15(12-17(16)27-23)18-10-11-19(32-18)21(30)28-20(22(31)24-2)14-6-4-3-5-7-14/h8-12,14,20H,3-7H2,1-2H3,(H,24,31)(H,28,30)(H2,25,26,27,29)
InChIKeyMPGJPFIUSXPVIB-UHFFFAOYSA-N
MW437.50 g/mol
LogP3.21
Rot. Bonds6

About 5-(2-acetamido-3H-benzimidazol-5-yl)-N-[1-cyclohexyl-2-(methylamino)-2-oxoethyl]furan-2-carboxamide

5-(2-acetamido-3H-benzimidazol-5-yl)-N-[1-cyclohexyl-2-(methylamino)-2-oxoethyl]furan-2-carboxamide (PubChem CID 77185504) has the molecular formula C23H27N5O4 and a molecular weight of 437.50 g/mol. Its IUPAC name is 5-(2-acetamido-3H-benzimidazol-5-yl)-N-[1-cyclohexyl-2-(methylamino)-2-oxoethyl]furan-2-carboxamide.

Molecular Properties

Compound Name5-(2-acetamido-3H-benzimidazol-5-yl)-N-[1-cyclohexyl-2-(methylamino)-2-oxoethyl]furan-2-carboxamide
PubChem CID77185504
Molecular FormulaC23H27N5O4
Molecular Weight437.50 g/mol
Exact Mass437.21
IUPAC Name5-(2-acetamido-3H-benzimidazol-5-yl)-N-[1-cyclohexyl-2-(methylamino)-2-oxoethyl]furan-2-carboxamide
SMILESCNC(=O)C(NC(=O)c1ccc(-c2ccc3nc(NC(C)=O)[nH]c3c2)o1)C1CCCCC1
InChIInChI=1S/C23H27N5O4/c1-13(29)25-23-26-16-9-8-15(12-17(16)27-23)18-10-11-19(32-18)21(30)28-20(22(31)24-2)14-6-4-3-5-7-14/h8-12,14,20H,3-7H2,1-2H3,(H,24,31)(H,28,30)(H2,25,26,27,29)
InChIKeyMPGJPFIUSXPVIB-UHFFFAOYSA-N
XLogP3.21
TPSA129.12 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500437.50
LogP ≤ 53.21
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

Analyze 5-(2-acetamido-3H-benzimidazol-5-yl)-N-[1-cyclohexyl-2-(methylamino)-2-oxoethyl]furan-2-carboxamide with MolForge

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Related Compounds

N-[(1S)-1-cyclohexyl-2-(methylamino)-2-oxoethyl]-5-[2-(pyridin-4-ylmethyl)-1H-indol-6-yl]furan-2-carboxamide
CID 70667111
N-[1-cyclohexyl-2-(methylamino)-2-oxoethyl]-5-(4-methylphenyl)furan-2-carboxamide
CID 74960677
5-(4-cyanophenyl)-N-[1-cyclohexyl-2-(methylamino)-2-oxoethyl]furan-2-carboxamide
CID 76807256
5-(4-amino-3-nitrosophenyl)-N-[1-cyclohexyl-2-(methylamino)-2-oxoethyl]furan-2-carboxamide
CID 91216509
N-[4-[5-[[1-cyclohexyl-2-(methylamino)-2-oxoethyl]carbamoyl]furan-2-yl]phenyl]-5-methylpyridine-3-carboxamide
CID 76807316
5-(4-chlorophenyl)-N-[1-cyclopropyl-2-(methylamino)-2-oxoethyl]furan-2-carboxamide
CID 76807293
N-[[4-[5-[[1-cyclohexyl-2-(methylamino)-2-oxoethyl]carbamoyl]furan-2-yl]phenyl]methyl]-4,5-dimethylfuran-2-carboxamide
CID 76807279
N-[1-cyclohexyl-2-(methylamino)ethyl]-5-(1H-indol-6-yl)furan-2-carboxamide
CID 90786943
5-(4-iodophenyl)-N-[(1S)-2-(methylamino)-2-oxo-1-piperidin-4-ylethyl]furan-2-carboxamide
CID 70669277
N-[4-[5-[[1-cyclohexyl-2-(methylamino)-2-oxoethyl]carbamoyl]furan-2-yl]phenyl]-8-methylimidazo[1,2-a]pyridine-2-carboxamide
CID 70225462
N-[(1S)-1-cyclohexyl-2-(methylamino)-2-oxoethyl]-5-[2-(morpholine-4-carbonyl)-3H-inden-5-yl]furan-2-carboxamide
CID 58492110
N-[(1S)-1-cyclohexyl-2-(methylamino)-2-oxoethyl]-5-(5H-cyclopenta[c]pyridin-3-yl)furan-2-carboxamide
CID 58492138

Frequently Asked Questions

What is the IUPAC name of 5-(2-acetamido-3H-benzimidazol-5-yl)-N-[1-cyclohexyl-2-(methylamino)-2-oxoethyl]furan-2-carboxamide?
The IUPAC name of 5-(2-acetamido-3H-benzimidazol-5-yl)-N-[1-cyclohexyl-2-(methylamino)-2-oxoethyl]furan-2-carboxamide (CID 77185504) is 5-(2-acetamido-3H-benzimidazol-5-yl)-N-[1-cyclohexyl-2-(methylamino)-2-oxoethyl]furan-2-carboxamide.
What is the SMILES notation for 5-(2-acetamido-3H-benzimidazol-5-yl)-N-[1-cyclohexyl-2-(methylamino)-2-oxoethyl]furan-2-carboxamide?
The canonical SMILES for 5-(2-acetamido-3H-benzimidazol-5-yl)-N-[1-cyclohexyl-2-(methylamino)-2-oxoethyl]furan-2-carboxamide is CNC(=O)C(NC(=O)c1ccc(-c2ccc3nc(NC(C)=O)[nH]c3c2)o1)C1CCCCC1.
What is the InChIKey of 5-(2-acetamido-3H-benzimidazol-5-yl)-N-[1-cyclohexyl-2-(methylamino)-2-oxoethyl]furan-2-carboxamide?
The InChIKey is MPGJPFIUSXPVIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H27N5O4/c1-13(29)25-23-26-16-9-8-15(12-17(16)27-23)18-10-11-19(32-18)21(30)28-20(22(31)24-2)14-6-4-3-5-7-14/h8-12,14,20H,3-7H2,1-2H3,(H,24,31)(H,28,30)(H2,25,26,27,29).
What are the key properties of 5-(2-acetamido-3H-benzimidazol-5-yl)-N-[1-cyclohexyl-2-(methylamino)-2-oxoethyl]furan-2-carboxamide?
5-(2-acetamido-3H-benzimidazol-5-yl)-N-[1-cyclohexyl-2-(methylamino)-2-oxoethyl]furan-2-carboxamide has a molecular weight of 437.50 g/mol, XLogP of 3.21, 6 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-acetamido-3H-benzimidazol-5-yl)-N-[1-cyclohexyl-2-(methylamino)-2-oxoethyl]furan-2-carboxamide is sourced from PubChem (CID 77185504), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).