N-[(2S)-1-(1H-benzimidazol-2-ylamino)-4-methyl-1-oxopentan-2-yl]-2-methylbenzamide

C21H24N4O2 — CID 27649409

IUPACN-[(2S)-1-(1H-benzimidazol-2-ylamino)-4-methyl-1-oxopentan-2-yl]-2-methylbenzamide
SMILESCc1ccccc1C(=O)N[C@@H](CC(C)C)C(=O)Nc1nc2ccccc2[nH]1
InChIInChI=1S/C21H24N4O2/c1-13(2)12-18(22-19(26)15-9-5-4-8-14(15)3)20(27)25-21-23-16-10-6-7-11-17(16)24-21/h4-11,13,18H,12H2,1-3H3,(H,22,26)(H2,23,24,25,27)/t18-/m0/s1
InChIKeyBGZBBJBSSZZHIH-SFHVURJKSA-N
MW364.45 g/mol
LogP3.65
Rot. Bonds6

About N-[(2S)-1-(1H-benzimidazol-2-ylamino)-4-methyl-1-oxopentan-2-yl]-2-methylbenzamide

N-[(2S)-1-(1H-benzimidazol-2-ylamino)-4-methyl-1-oxopentan-2-yl]-2-methylbenzamide (PubChem CID 27649409) has the molecular formula C21H24N4O2 and a molecular weight of 364.45 g/mol. Its IUPAC name is N-[(2S)-1-(1H-benzimidazol-2-ylamino)-4-methyl-1-oxopentan-2-yl]-2-methylbenzamide.

Molecular Properties

Compound NameN-[(2S)-1-(1H-benzimidazol-2-ylamino)-4-methyl-1-oxopentan-2-yl]-2-methylbenzamide
PubChem CID27649409
Molecular FormulaC21H24N4O2
Molecular Weight364.45 g/mol
Exact Mass364.19
IUPAC NameN-[(2S)-1-(1H-benzimidazol-2-ylamino)-4-methyl-1-oxopentan-2-yl]-2-methylbenzamide
SMILESCc1ccccc1C(=O)N[C@@H](CC(C)C)C(=O)Nc1nc2ccccc2[nH]1
InChIInChI=1S/C21H24N4O2/c1-13(2)12-18(22-19(26)15-9-5-4-8-14(15)3)20(27)25-21-23-16-10-6-7-11-17(16)24-21/h4-11,13,18H,12H2,1-3H3,(H,22,26)(H2,23,24,25,27)/t18-/m0/s1
InChIKeyBGZBBJBSSZZHIH-SFHVURJKSA-N
XLogP3.65
TPSA86.88 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.45
LogP ≤ 53.65
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

N-[1-(1H-benzimidazol-2-ylamino)-4-methyl-1-oxopentan-2-yl]-2,4-dichlorobenzamide
CID 43002570
N-[1-(1H-benzimidazol-2-ylamino)-4-methyl-1-oxopentan-2-yl]-3,4,5-trimethoxybenzamide
CID 53199794
N-[1-(1H-benzimidazol-2-ylamino)-1-oxopentan-2-yl]-4-methoxy-2-methylbenzamide
CID 53199853
N-[1-(1H-benzimidazol-2-ylamino)-3-hydroxy-1-oxopropan-2-yl]benzamide
CID 3639132
N-(1H-benzimidazol-2-yl)-2-methylpentanamide
CID 60629405
2-methyl-N-[(2S)-4-methyl-1-(2-methylsulfanylanilino)-1-oxopentan-2-yl]benzamide
CID 41013790
2-methyl-N-[4-methyl-1-(5-methylhexan-2-ylamino)-1-oxopentan-2-yl]benzamide
CID 112789345
N-[1-(1H-benzimidazol-2-ylamino)-3-hydroxy-1-oxopropan-2-yl]-4-phenylbenzamide
CID 5079290
2-methyl-N-[(2R)-4-methyl-1-[(4-methyl-2-pyridinyl)amino]-1-oxopentan-2-yl]benzamide
CID 35028557
(3S)-3-[[(2S)-4-methyl-2-[(2-methylbenzoyl)amino]pentanoyl]amino]butanoic acid
CID 97072625
2-methyl-N-[4-methyl-1-oxo-1-(1,2,4-triazol-4-ylamino)pentan-2-yl]benzamide
CID 75413015
N-[1-(dimethylamino)-4-methyl-1-oxopentan-2-yl]-2-methylbenzamide
CID 47101431

Frequently Asked Questions

What is the IUPAC name of N-[(2S)-1-(1H-benzimidazol-2-ylamino)-4-methyl-1-oxopentan-2-yl]-2-methylbenzamide?
The IUPAC name of N-[(2S)-1-(1H-benzimidazol-2-ylamino)-4-methyl-1-oxopentan-2-yl]-2-methylbenzamide (CID 27649409) is N-[(2S)-1-(1H-benzimidazol-2-ylamino)-4-methyl-1-oxopentan-2-yl]-2-methylbenzamide.
What is the SMILES notation for N-[(2S)-1-(1H-benzimidazol-2-ylamino)-4-methyl-1-oxopentan-2-yl]-2-methylbenzamide?
The canonical SMILES for N-[(2S)-1-(1H-benzimidazol-2-ylamino)-4-methyl-1-oxopentan-2-yl]-2-methylbenzamide is Cc1ccccc1C(=O)N[C@@H](CC(C)C)C(=O)Nc1nc2ccccc2[nH]1.
What is the InChIKey of N-[(2S)-1-(1H-benzimidazol-2-ylamino)-4-methyl-1-oxopentan-2-yl]-2-methylbenzamide?
The InChIKey is BGZBBJBSSZZHIH-SFHVURJKSA-N. The full InChI is InChI=1S/C21H24N4O2/c1-13(2)12-18(22-19(26)15-9-5-4-8-14(15)3)20(27)25-21-23-16-10-6-7-11-17(16)24-21/h4-11,13,18H,12H2,1-3H3,(H,22,26)(H2,23,24,25,27)/t18-/m0/s1.
What are the key properties of N-[(2S)-1-(1H-benzimidazol-2-ylamino)-4-methyl-1-oxopentan-2-yl]-2-methylbenzamide?
N-[(2S)-1-(1H-benzimidazol-2-ylamino)-4-methyl-1-oxopentan-2-yl]-2-methylbenzamide has a molecular weight of 364.45 g/mol, XLogP of 3.65, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S)-1-(1H-benzimidazol-2-ylamino)-4-methyl-1-oxopentan-2-yl]-2-methylbenzamide is sourced from PubChem (CID 27649409), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).