N-[3-[(2S,4R,6R)-4-acetamido-6-propan-2-yloxan-2-yl]phenyl]-2-(2-methylbenzimidazol-1-yl)acetamide

C26H32N4O3 — CID 110129982

IUPACN-[3-[(2S,4R,6R)-4-acetamido-6-propan-2-yloxan-2-yl]phenyl]-2-(2-methylbenzimidazol-1-yl)acetamide
SMILESCC(=O)N[C@H]1C[C@@H](c2cccc(NC(=O)Cn3c(C)nc4ccccc43)c2)O[C@@H](C(C)C)C1
InChIInChI=1S/C26H32N4O3/c1-16(2)24-13-21(28-18(4)31)14-25(33-24)19-8-7-9-20(12-19)29-26(32)15-30-17(3)27-22-10-5-6-11-23(22)30/h5-12,16,21,24-25H,13-15H2,1-4H3,(H,28,31)(H,29,32)/t21-,24-,25+/m1/s1
InChIKeyUFGYSGBEQXKGQR-SDUSCBPUSA-N
MW448.57 g/mol
LogP4.36
Rot. Bonds6

About N-[3-[(2S,4R,6R)-4-acetamido-6-propan-2-yloxan-2-yl]phenyl]-2-(2-methylbenzimidazol-1-yl)acetamide

N-[3-[(2S,4R,6R)-4-acetamido-6-propan-2-yloxan-2-yl]phenyl]-2-(2-methylbenzimidazol-1-yl)acetamide (PubChem CID 110129982) has the molecular formula C26H32N4O3 and a molecular weight of 448.57 g/mol. Its IUPAC name is N-[3-[(2S,4R,6R)-4-acetamido-6-propan-2-yloxan-2-yl]phenyl]-2-(2-methylbenzimidazol-1-yl)acetamide.

Molecular Properties

Compound NameN-[3-[(2S,4R,6R)-4-acetamido-6-propan-2-yloxan-2-yl]phenyl]-2-(2-methylbenzimidazol-1-yl)acetamide
PubChem CID110129982
Molecular FormulaC26H32N4O3
Molecular Weight448.57 g/mol
Exact Mass448.25
IUPAC NameN-[3-[(2S,4R,6R)-4-acetamido-6-propan-2-yloxan-2-yl]phenyl]-2-(2-methylbenzimidazol-1-yl)acetamide
SMILESCC(=O)N[C@H]1C[C@@H](c2cccc(NC(=O)Cn3c(C)nc4ccccc43)c2)O[C@@H](C(C)C)C1
InChIInChI=1S/C26H32N4O3/c1-16(2)24-13-21(28-18(4)31)14-25(33-24)19-8-7-9-20(12-19)29-26(32)15-30-17(3)27-22-10-5-6-11-23(22)30/h5-12,16,21,24-25H,13-15H2,1-4H3,(H,28,31)(H,29,32)/t21-,24-,25+/m1/s1
InChIKeyUFGYSGBEQXKGQR-SDUSCBPUSA-N
XLogP4.36
TPSA85.25 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500448.57
LogP ≤ 54.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[3-[(2S,4R,6R)-4-acetamido-6-propan-2-yloxan-2-yl]phenyl]-2-(4-propan-2-yltriazol-1-yl)acetamide
CID 110129987
N-[3-[(2R,4S)-4-acetamidooxan-2-yl]phenyl]-2-(benzotriazol-1-yl)acetamide
CID 110129816
N-cyclopropyl-2-(2-methylbenzimidazol-1-yl)acetamide
CID 7755737
2-(2-methylbenzimidazol-1-yl)-N-(2-pentan-3-yloxan-4-yl)acetamide
CID 122135801
N-(4-iodophenyl)-2-(2-methylbenzimidazol-1-yl)acetamide
CID 7755726
N-[4-[(2S,4R,6R)-4-acetamido-6-propan-2-yloxan-2-yl]phenyl]-2-(4-propan-2-yltriazol-1-yl)acetamide
CID 110130091
N-phenyl-2-(2-propan-2-ylbenzimidazol-1-yl)acetamide
CID 17028613
N-(3-chlorophenyl)-2-[2-(1-hydroxyethyl)benzimidazol-1-yl]acetamide
CID 112787812
N-[3-[5-(hydroxymethyl)-4-methyl-1,2,4-triazol-3-yl]cyclobutyl]-2-(2-methylbenzimidazol-1-yl)acetamide
CID 91783286
N-(2-acetamidoethyl)-2-(2-methylbenzimidazol-1-yl)acetamide
CID 47131203
N-(2,6-dichloro-3-methylphenyl)-2-(2-methylbenzimidazol-1-yl)acetamide
CID 7755761
2-(2-methylbenzimidazol-1-yl)-N-(4-nitrophenyl)acetamide
CID 7755868

Frequently Asked Questions

What is the IUPAC name of N-[3-[(2S,4R,6R)-4-acetamido-6-propan-2-yloxan-2-yl]phenyl]-2-(2-methylbenzimidazol-1-yl)acetamide?
The IUPAC name of N-[3-[(2S,4R,6R)-4-acetamido-6-propan-2-yloxan-2-yl]phenyl]-2-(2-methylbenzimidazol-1-yl)acetamide (CID 110129982) is N-[3-[(2S,4R,6R)-4-acetamido-6-propan-2-yloxan-2-yl]phenyl]-2-(2-methylbenzimidazol-1-yl)acetamide.
What is the SMILES notation for N-[3-[(2S,4R,6R)-4-acetamido-6-propan-2-yloxan-2-yl]phenyl]-2-(2-methylbenzimidazol-1-yl)acetamide?
The canonical SMILES for N-[3-[(2S,4R,6R)-4-acetamido-6-propan-2-yloxan-2-yl]phenyl]-2-(2-methylbenzimidazol-1-yl)acetamide is CC(=O)N[C@H]1C[C@@H](c2cccc(NC(=O)Cn3c(C)nc4ccccc43)c2)O[C@@H](C(C)C)C1.
What is the InChIKey of N-[3-[(2S,4R,6R)-4-acetamido-6-propan-2-yloxan-2-yl]phenyl]-2-(2-methylbenzimidazol-1-yl)acetamide?
The InChIKey is UFGYSGBEQXKGQR-SDUSCBPUSA-N. The full InChI is InChI=1S/C26H32N4O3/c1-16(2)24-13-21(28-18(4)31)14-25(33-24)19-8-7-9-20(12-19)29-26(32)15-30-17(3)27-22-10-5-6-11-23(22)30/h5-12,16,21,24-25H,13-15H2,1-4H3,(H,28,31)(H,29,32)/t21-,24-,25+/m1/s1.
What are the key properties of N-[3-[(2S,4R,6R)-4-acetamido-6-propan-2-yloxan-2-yl]phenyl]-2-(2-methylbenzimidazol-1-yl)acetamide?
N-[3-[(2S,4R,6R)-4-acetamido-6-propan-2-yloxan-2-yl]phenyl]-2-(2-methylbenzimidazol-1-yl)acetamide has a molecular weight of 448.57 g/mol, XLogP of 4.36, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[(2S,4R,6R)-4-acetamido-6-propan-2-yloxan-2-yl]phenyl]-2-(2-methylbenzimidazol-1-yl)acetamide is sourced from PubChem (CID 110129982), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).