2-[(2-benzyl-1-pentan-3-ylbenzimidazole-5-carbonyl)amino]-4-methylpentanoic acid

C26H33N3O3 — CID 118427561

IUPAC2-[(2-benzyl-1-pentan-3-ylbenzimidazole-5-carbonyl)amino]-4-methylpentanoic acid
SMILESCCC(CC)n1c(Cc2ccccc2)nc2cc(C(=O)NC(CC(C)C)C(=O)O)ccc21
InChIInChI=1S/C26H33N3O3/c1-5-20(6-2)29-23-13-12-19(25(30)28-22(26(31)32)14-17(3)4)16-21(23)27-24(29)15-18-10-8-7-9-11-18/h7-13,16-17,20,22H,5-6,14-15H2,1-4H3,(H,28,30)(H,31,32)
InChIKeyBCXDMNXNQQKYFE-UHFFFAOYSA-N
MW435.57 g/mol
LogP5.22
Rot. Bonds10

About 2-[(2-benzyl-1-pentan-3-ylbenzimidazole-5-carbonyl)amino]-4-methylpentanoic acid

2-[(2-benzyl-1-pentan-3-ylbenzimidazole-5-carbonyl)amino]-4-methylpentanoic acid (PubChem CID 118427561) has the molecular formula C26H33N3O3 and a molecular weight of 435.57 g/mol. Its IUPAC name is 2-[(2-benzyl-1-pentan-3-ylbenzimidazole-5-carbonyl)amino]-4-methylpentanoic acid.

Molecular Properties

Compound Name2-[(2-benzyl-1-pentan-3-ylbenzimidazole-5-carbonyl)amino]-4-methylpentanoic acid
PubChem CID118427561
Molecular FormulaC26H33N3O3
Molecular Weight435.57 g/mol
Exact Mass435.25
IUPAC Name2-[(2-benzyl-1-pentan-3-ylbenzimidazole-5-carbonyl)amino]-4-methylpentanoic acid
SMILESCCC(CC)n1c(Cc2ccccc2)nc2cc(C(=O)NC(CC(C)C)C(=O)O)ccc21
InChIInChI=1S/C26H33N3O3/c1-5-20(6-2)29-23-13-12-19(25(30)28-22(26(31)32)14-17(3)4)16-21(23)27-24(29)15-18-10-8-7-9-11-18/h7-13,16-17,20,22H,5-6,14-15H2,1-4H3,(H,28,30)(H,31,32)
InChIKeyBCXDMNXNQQKYFE-UHFFFAOYSA-N
XLogP5.22
TPSA84.22 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500435.57
LogP ≤ 55.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 2-[(2-benzyl-1-pentan-3-ylbenzimidazole-5-carbonyl)amino]-4-methylpentanoic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(2S)-2-[[2-(furan-2-ylmethyl)-1-pentan-3-ylbenzimidazole-5-carbonyl]amino]-4-methylpentanoic acid
CID 90079695
2-[[2-(furan-3-ylmethyl)-1-pentan-3-ylbenzimidazole-5-carbonyl]amino]-4-methylhexanoic acid
CID 90083826
N-[(2S)-4-methyl-1-oxo-1-(pentan-3-ylamino)pentan-2-yl]-1-pentan-3-yl-2-(thiophen-2-ylmethyl)benzimidazole-5-carboxamide
CID 90087413
2-[[1-butan-2-yl-2-(thiophen-2-ylmethyl)benzimidazole-5-carbonyl]amino]-4-methylpentanoic acid
CID 118427539
2-[[2-(cyclohexylmethyl)-1-pentan-3-ylbenzimidazole-5-carbonyl]amino]-4-methylhexanoic acid
CID 90083928
N-[(2S)-4-methyl-1-oxo-1-(thiophen-2-ylmethylamino)pentan-2-yl]-1-pentan-3-yl-2-(thiophen-2-ylmethyl)benzimidazole-5-carboxamide
CID 90087408
(2S)-4-methyl-2-[[1-(4-methylpentan-2-yl)-2-(thiophen-2-ylmethyl)benzimidazole-5-carbonyl]amino]hexanoic acid
CID 90083786
4-methyl-2-[[2-(oxolan-2-ylmethyl)-1-pentan-3-ylbenzimidazole-5-carbonyl]amino]hexanoic acid
CID 90083790
2-[[1-[(2S)-butan-2-yl]-2-(cyclopentylmethyl)benzimidazole-5-carbonyl]amino]-4-methylpentanoic acid
CID 118427411
(3S)-5-methyl-3-[[1-pentan-3-yl-2-(thiophen-2-ylmethyl)benzimidazole-5-carbonyl]amino]hexanoic acid
CID 73442763
N-[(2S)-1-[4-[benzyl(ethyl)amino]piperidin-1-yl]-4-methyl-1-oxopentan-2-yl]-1-pentan-3-yl-2-(thiophen-2-ylmethyl)benzimidazole-5-carboxamide
CID 90087603
N-[(2S)-1-hydroxy-4-methylpentan-2-yl]-1-pentan-3-yl-2-(thiophen-2-ylmethyl)benzimidazole-5-carboxamide
CID 90087376

Frequently Asked Questions

What is the IUPAC name of 2-[(2-benzyl-1-pentan-3-ylbenzimidazole-5-carbonyl)amino]-4-methylpentanoic acid?
The IUPAC name of 2-[(2-benzyl-1-pentan-3-ylbenzimidazole-5-carbonyl)amino]-4-methylpentanoic acid (CID 118427561) is 2-[(2-benzyl-1-pentan-3-ylbenzimidazole-5-carbonyl)amino]-4-methylpentanoic acid.
What is the SMILES notation for 2-[(2-benzyl-1-pentan-3-ylbenzimidazole-5-carbonyl)amino]-4-methylpentanoic acid?
The canonical SMILES for 2-[(2-benzyl-1-pentan-3-ylbenzimidazole-5-carbonyl)amino]-4-methylpentanoic acid is CCC(CC)n1c(Cc2ccccc2)nc2cc(C(=O)NC(CC(C)C)C(=O)O)ccc21.
What is the InChIKey of 2-[(2-benzyl-1-pentan-3-ylbenzimidazole-5-carbonyl)amino]-4-methylpentanoic acid?
The InChIKey is BCXDMNXNQQKYFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H33N3O3/c1-5-20(6-2)29-23-13-12-19(25(30)28-22(26(31)32)14-17(3)4)16-21(23)27-24(29)15-18-10-8-7-9-11-18/h7-13,16-17,20,22H,5-6,14-15H2,1-4H3,(H,28,30)(H,31,32).
What are the key properties of 2-[(2-benzyl-1-pentan-3-ylbenzimidazole-5-carbonyl)amino]-4-methylpentanoic acid?
2-[(2-benzyl-1-pentan-3-ylbenzimidazole-5-carbonyl)amino]-4-methylpentanoic acid has a molecular weight of 435.57 g/mol, XLogP of 5.22, 10 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-benzyl-1-pentan-3-ylbenzimidazole-5-carbonyl)amino]-4-methylpentanoic acid is sourced from PubChem (CID 118427561), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).