methyl 2-amino-5-(2-methyl-3H-benzimidazol-5-yl)pentanoate

C14H19N3O2 — CID 116851631

IUPACmethyl 2-amino-5-(2-methyl-3H-benzimidazol-5-yl)pentanoate
SMILESCOC(=O)C(N)CCCc1ccc2nc(C)[nH]c2c1
InChIInChI=1S/C14H19N3O2/c1-9-16-12-7-6-10(8-13(12)17-9)4-3-5-11(15)14(18)19-2/h6-8,11H,3-5,15H2,1-2H3,(H,16,17)
InChIKeyVFQKULNRSWDOOX-UHFFFAOYSA-N
MW261.33 g/mol
LogP1.69
Rot. Bonds5

About methyl 2-amino-5-(2-methyl-3H-benzimidazol-5-yl)pentanoate

methyl 2-amino-5-(2-methyl-3H-benzimidazol-5-yl)pentanoate (PubChem CID 116851631) has the molecular formula C14H19N3O2 and a molecular weight of 261.33 g/mol. Its IUPAC name is methyl 2-amino-5-(2-methyl-3H-benzimidazol-5-yl)pentanoate.

Molecular Properties

Compound Namemethyl 2-amino-5-(2-methyl-3H-benzimidazol-5-yl)pentanoate
PubChem CID116851631
Molecular FormulaC14H19N3O2
Molecular Weight261.33 g/mol
Exact Mass261.15
IUPAC Namemethyl 2-amino-5-(2-methyl-3H-benzimidazol-5-yl)pentanoate
SMILESCOC(=O)C(N)CCCc1ccc2nc(C)[nH]c2c1
InChIInChI=1S/C14H19N3O2/c1-9-16-12-7-6-10(8-13(12)17-9)4-3-5-11(15)14(18)19-2/h6-8,11H,3-5,15H2,1-2H3,(H,16,17)
InChIKeyVFQKULNRSWDOOX-UHFFFAOYSA-N
XLogP1.69
TPSA81.00 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.33
LogP ≤ 51.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze methyl 2-amino-5-(2-methyl-3H-benzimidazol-5-yl)pentanoate 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-amino-3-(2-methyl-3H-benzimidazol-5-yl)propanoic acid
CID 96583220
N'-methyl-4-(2-methyl-3H-benzimidazol-5-yl)butanehydrazide
CID 116846538
2-amino-4-[(2-methyl-3H-benzimidazol-5-yl)methylamino]butanoic acid
CID 115241223
methyl 2-amino-5-pyridin-4-ylpentanoate
CID 116851646
N-methyl-4-(2-methyl-3H-benzimidazol-5-yl)butan-1-amine
CID 96671773
methyl 2-[methyl-[2-(2-methyl-3H-benzimidazol-5-yl)ethyl]amino]acetate
CID 115233172
methyl (2R)-2-amino-5-phenylpentanoate;hydrochloride
CID 137346959
N-[2-(2-methyl-3H-benzimidazol-5-yl)ethyl]propanamide
CID 110791451
(2-methyl-3H-benzimidazol-5-yl)methylcarbamic acid
CID 115170893
N-[2-(2-methyl-3H-benzimidazol-5-yl)ethyl]-2-sulfanylacetamide
CID 115167417
2,2-dimethyl-N-[2-(2-methyl-3H-benzimidazol-5-yl)ethyl]propanamide
CID 110791460
6-(2-bromoethyl)-2-methyl-1H-benzimidazole;ethane
CID 90818369

Frequently Asked Questions

What is the IUPAC name of methyl 2-amino-5-(2-methyl-3H-benzimidazol-5-yl)pentanoate?
The IUPAC name of methyl 2-amino-5-(2-methyl-3H-benzimidazol-5-yl)pentanoate (CID 116851631) is methyl 2-amino-5-(2-methyl-3H-benzimidazol-5-yl)pentanoate.
What is the SMILES notation for methyl 2-amino-5-(2-methyl-3H-benzimidazol-5-yl)pentanoate?
The canonical SMILES for methyl 2-amino-5-(2-methyl-3H-benzimidazol-5-yl)pentanoate is COC(=O)C(N)CCCc1ccc2nc(C)[nH]c2c1.
What is the InChIKey of methyl 2-amino-5-(2-methyl-3H-benzimidazol-5-yl)pentanoate?
The InChIKey is VFQKULNRSWDOOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3O2/c1-9-16-12-7-6-10(8-13(12)17-9)4-3-5-11(15)14(18)19-2/h6-8,11H,3-5,15H2,1-2H3,(H,16,17).
What are the key properties of methyl 2-amino-5-(2-methyl-3H-benzimidazol-5-yl)pentanoate?
methyl 2-amino-5-(2-methyl-3H-benzimidazol-5-yl)pentanoate has a molecular weight of 261.33 g/mol, XLogP of 1.69, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-amino-5-(2-methyl-3H-benzimidazol-5-yl)pentanoate is sourced from PubChem (CID 116851631), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).