N-[1-(1H-benzimidazol-2-ylamino)-3-methyl-1-oxopentan-2-yl]-4-propan-2-ylbenzamide

C23H28N4O2 — CID 53199808

IUPACN-[1-(1H-benzimidazol-2-ylamino)-3-methyl-1-oxopentan-2-yl]-4-propan-2-ylbenzamide
SMILESCCC(C)C(NC(=O)c1ccc(C(C)C)cc1)C(=O)Nc1nc2ccccc2[nH]1
InChIInChI=1S/C23H28N4O2/c1-5-15(4)20(26-21(28)17-12-10-16(11-13-17)14(2)3)22(29)27-23-24-18-8-6-7-9-19(18)25-23/h6-15,20H,5H2,1-4H3,(H,26,28)(H2,24,25,27,29)
InChIKeyKGEPVILJCVJQLA-UHFFFAOYSA-N
MW392.50 g/mol
LogP4.47
Rot. Bonds7

About N-[1-(1H-benzimidazol-2-ylamino)-3-methyl-1-oxopentan-2-yl]-4-propan-2-ylbenzamide

N-[1-(1H-benzimidazol-2-ylamino)-3-methyl-1-oxopentan-2-yl]-4-propan-2-ylbenzamide (PubChem CID 53199808) has the molecular formula C23H28N4O2 and a molecular weight of 392.50 g/mol. Its IUPAC name is N-[1-(1H-benzimidazol-2-ylamino)-3-methyl-1-oxopentan-2-yl]-4-propan-2-ylbenzamide.

Molecular Properties

Compound NameN-[1-(1H-benzimidazol-2-ylamino)-3-methyl-1-oxopentan-2-yl]-4-propan-2-ylbenzamide
PubChem CID53199808
Molecular FormulaC23H28N4O2
Molecular Weight392.50 g/mol
Exact Mass392.22
IUPAC NameN-[1-(1H-benzimidazol-2-ylamino)-3-methyl-1-oxopentan-2-yl]-4-propan-2-ylbenzamide
SMILESCCC(C)C(NC(=O)c1ccc(C(C)C)cc1)C(=O)Nc1nc2ccccc2[nH]1
InChIInChI=1S/C23H28N4O2/c1-5-15(4)20(26-21(28)17-12-10-16(11-13-17)14(2)3)22(29)27-23-24-18-8-6-7-9-19(18)25-23/h6-15,20H,5H2,1-4H3,(H,26,28)(H2,24,25,27,29)
InChIKeyKGEPVILJCVJQLA-UHFFFAOYSA-N
XLogP4.47
TPSA86.88 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.50
LogP ≤ 54.47
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

N-[1-(1H-benzimidazol-2-ylamino)-3-methyl-1-oxopentan-2-yl]-3-chloro-4-fluorobenzamide
CID 53199813
N-[1-(1H-benzimidazol-2-ylamino)-3-methyl-1-oxopentan-2-yl]thiophene-2-carboxamide
CID 53199804
N-[(2R)-1-(1H-benzimidazol-2-ylamino)-3-methyl-1-oxobutan-2-yl]-4-methoxybenzamide
CID 51419906
N-[1-(1H-benzimidazol-2-ylamino)-3-methyl-1-oxobutan-2-yl]-4-methoxybenzamide
CID 4288880
N-(1H-benzimidazol-2-yl)-2-[[2-(4-chlorophenyl)acetyl]amino]-3-methylpentanamide
CID 53199805
(2S)-2-amino-N-(1H-benzimidazol-2-yl)-3-methylpentanamide
CID 63565252
(2S,3S)-2-amino-N-(1H-benzimidazol-2-yl)-3-methylpentanamide
CID 63565253
N-(1H-benzimidazol-2-yl)-2-[[2-(3-fluorophenyl)acetyl]amino]-3-methylpentanamide
CID 53199807
N-[1-(1H-benzimidazol-2-ylamino)-1-oxopentan-2-yl]-4-methoxybenzamide
CID 53199867
(2R)-2-acetamido-N-(1H-benzimidazol-2-yl)-3-methylbutanamide
CID 27649319
N-[1-(1H-benzimidazol-2-ylamino)-3-hydroxy-1-oxopropan-2-yl]benzamide
CID 3639132
N-[1-(1H-benzimidazol-2-ylamino)-3-hydroxy-1-oxopropan-2-yl]-4-phenylbenzamide
CID 5079290

Frequently Asked Questions

What is the IUPAC name of N-[1-(1H-benzimidazol-2-ylamino)-3-methyl-1-oxopentan-2-yl]-4-propan-2-ylbenzamide?
The IUPAC name of N-[1-(1H-benzimidazol-2-ylamino)-3-methyl-1-oxopentan-2-yl]-4-propan-2-ylbenzamide (CID 53199808) is N-[1-(1H-benzimidazol-2-ylamino)-3-methyl-1-oxopentan-2-yl]-4-propan-2-ylbenzamide.
What is the SMILES notation for N-[1-(1H-benzimidazol-2-ylamino)-3-methyl-1-oxopentan-2-yl]-4-propan-2-ylbenzamide?
The canonical SMILES for N-[1-(1H-benzimidazol-2-ylamino)-3-methyl-1-oxopentan-2-yl]-4-propan-2-ylbenzamide is CCC(C)C(NC(=O)c1ccc(C(C)C)cc1)C(=O)Nc1nc2ccccc2[nH]1.
What is the InChIKey of N-[1-(1H-benzimidazol-2-ylamino)-3-methyl-1-oxopentan-2-yl]-4-propan-2-ylbenzamide?
The InChIKey is KGEPVILJCVJQLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H28N4O2/c1-5-15(4)20(26-21(28)17-12-10-16(11-13-17)14(2)3)22(29)27-23-24-18-8-6-7-9-19(18)25-23/h6-15,20H,5H2,1-4H3,(H,26,28)(H2,24,25,27,29).
What are the key properties of N-[1-(1H-benzimidazol-2-ylamino)-3-methyl-1-oxopentan-2-yl]-4-propan-2-ylbenzamide?
N-[1-(1H-benzimidazol-2-ylamino)-3-methyl-1-oxopentan-2-yl]-4-propan-2-ylbenzamide has a molecular weight of 392.50 g/mol, XLogP of 4.47, 7 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(1H-benzimidazol-2-ylamino)-3-methyl-1-oxopentan-2-yl]-4-propan-2-ylbenzamide is sourced from PubChem (CID 53199808), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).