2-(4-amino-2-pentan-3-ylbenzimidazol-1-yl)acetic acid

C14H19N3O2 — CID 82067548

IUPAC2-(4-amino-2-pentan-3-ylbenzimidazol-1-yl)acetic acid
SMILESCCC(CC)c1nc2c(N)cccc2n1CC(=O)O
InChIInChI=1S/C14H19N3O2/c1-3-9(4-2)14-16-13-10(15)6-5-7-11(13)17(14)8-12(18)19/h5-7,9H,3-4,8,15H2,1-2H3,(H,18,19)
InChIKeyAEWXVVXQGZHDPJ-UHFFFAOYSA-N
MW261.32 g/mol
LogP2.61
Rot. Bonds5

About 2-(4-amino-2-pentan-3-ylbenzimidazol-1-yl)acetic acid

2-(4-amino-2-pentan-3-ylbenzimidazol-1-yl)acetic acid (PubChem CID 82067548) has the molecular formula C14H19N3O2 and a molecular weight of 261.32 g/mol. Its IUPAC name is 2-(4-amino-2-pentan-3-ylbenzimidazol-1-yl)acetic acid.

Molecular Properties

Compound Name2-(4-amino-2-pentan-3-ylbenzimidazol-1-yl)acetic acid
PubChem CID82067548
Molecular FormulaC14H19N3O2
Molecular Weight261.32 g/mol
Exact Mass261.15
IUPAC Name2-(4-amino-2-pentan-3-ylbenzimidazol-1-yl)acetic acid
SMILESCCC(CC)c1nc2c(N)cccc2n1CC(=O)O
InChIInChI=1S/C14H19N3O2/c1-3-9(4-2)14-16-13-10(15)6-5-7-11(13)17(14)8-12(18)19/h5-7,9H,3-4,8,15H2,1-2H3,(H,18,19)
InChIKeyAEWXVVXQGZHDPJ-UHFFFAOYSA-N
XLogP2.61
TPSA81.14 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.32
LogP ≤ 52.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

2-(4-amino-2-pentan-3-ylbenzimidazol-1-yl)-N-methylacetamide
CID 82067572
2-(4-amino-2-pentan-3-ylbenzimidazol-1-yl)-N-propylacetamide
CID 82067573
2-pentan-3-yl-1-propylbenzimidazol-4-amine
CID 82067555
2-(4-amino-2-ethylbenzimidazol-1-yl)acetic acid
CID 82067202
3-(4-amino-2-pentan-3-ylbenzimidazol-1-yl)propan-1-ol
CID 82067574
2-(4-amino-2-propylbenzimidazol-1-yl)acetic acid
CID 67202043
methyl 2-(4-amino-2-pentan-3-ylbenzimidazol-1-yl)propanoate
CID 82067547
2-(4-amino-2-propan-2-ylbenzimidazol-1-yl)acetohydrazide
CID 82067406
propyl 2-(4-amino-2-propan-2-ylbenzimidazol-1-yl)acetate
CID 82067422
3-(4-amino-2-butylbenzimidazol-1-yl)propanoic acid
CID 82067392
2-(4-amino-2-methylbenzimidazol-1-yl)-N-ethyl-N-phenylacetamide
CID 93215409
propan-2-yl 2-(4-amino-2-propan-2-ylbenzimidazol-1-yl)butanoate
CID 82067433

Frequently Asked Questions

What is the IUPAC name of 2-(4-amino-2-pentan-3-ylbenzimidazol-1-yl)acetic acid?
The IUPAC name of 2-(4-amino-2-pentan-3-ylbenzimidazol-1-yl)acetic acid (CID 82067548) is 2-(4-amino-2-pentan-3-ylbenzimidazol-1-yl)acetic acid.
What is the SMILES notation for 2-(4-amino-2-pentan-3-ylbenzimidazol-1-yl)acetic acid?
The canonical SMILES for 2-(4-amino-2-pentan-3-ylbenzimidazol-1-yl)acetic acid is CCC(CC)c1nc2c(N)cccc2n1CC(=O)O.
What is the InChIKey of 2-(4-amino-2-pentan-3-ylbenzimidazol-1-yl)acetic acid?
The InChIKey is AEWXVVXQGZHDPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3O2/c1-3-9(4-2)14-16-13-10(15)6-5-7-11(13)17(14)8-12(18)19/h5-7,9H,3-4,8,15H2,1-2H3,(H,18,19).
What are the key properties of 2-(4-amino-2-pentan-3-ylbenzimidazol-1-yl)acetic acid?
2-(4-amino-2-pentan-3-ylbenzimidazol-1-yl)acetic acid has a molecular weight of 261.32 g/mol, XLogP of 2.61, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-amino-2-pentan-3-ylbenzimidazol-1-yl)acetic acid is sourced from PubChem (CID 82067548), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).