4-(benzimidazol-1-yl)-2-methyl-2-(methylamino)pentanoic acid

C14H19N3O2 — CID 64703858

IUPAC4-(benzimidazol-1-yl)-2-methyl-2-(methylamino)pentanoic acid
SMILESCNC(C)(CC(C)n1cnc2ccccc21)C(=O)O
InChIInChI=1S/C14H19N3O2/c1-10(8-14(2,15-3)13(18)19)17-9-16-11-6-4-5-7-12(11)17/h4-7,9-10,15H,8H2,1-3H3,(H,18,19)
InChIKeyZPVSENKYDDOFFI-UHFFFAOYSA-N
MW261.32 g/mol
LogP2.05
Rot. Bonds5

About 4-(benzimidazol-1-yl)-2-methyl-2-(methylamino)pentanoic acid

4-(benzimidazol-1-yl)-2-methyl-2-(methylamino)pentanoic acid (PubChem CID 64703858) has the molecular formula C14H19N3O2 and a molecular weight of 261.32 g/mol. Its IUPAC name is 4-(benzimidazol-1-yl)-2-methyl-2-(methylamino)pentanoic acid.

Molecular Properties

Compound Name4-(benzimidazol-1-yl)-2-methyl-2-(methylamino)pentanoic acid
PubChem CID64703858
Molecular FormulaC14H19N3O2
Molecular Weight261.32 g/mol
Exact Mass261.15
IUPAC Name4-(benzimidazol-1-yl)-2-methyl-2-(methylamino)pentanoic acid
SMILESCNC(C)(CC(C)n1cnc2ccccc21)C(=O)O
InChIInChI=1S/C14H19N3O2/c1-10(8-14(2,15-3)13(18)19)17-9-16-11-6-4-5-7-12(11)17/h4-7,9-10,15H,8H2,1-3H3,(H,18,19)
InChIKeyZPVSENKYDDOFFI-UHFFFAOYSA-N
XLogP2.05
TPSA67.15 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 ≤ 52.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 4-(benzimidazol-1-yl)-2-(ethylamino)-2-methylpentanoate
CID 64705069
3-(benzimidazol-1-yl)butanoic acid
CID 6486725
methyl 3-(benzimidazol-1-yl)butanoate
CID 43536389
1-butan-2-ylbenzimidazole;hydrochloride
CID 56832397
3-(benzimidazol-1-yl)-N-tert-butylbutan-1-amine
CID 62447049
4-(1,3-dihydroisoindol-2-yl)-2-methyl-2-(methylamino)pentanoic acid
CID 64705520
4-(benzimidazol-1-yl)pentan-2-ol
CID 64720389
4-(2-ethylimidazol-1-yl)-2-methyl-2-(methylamino)pentanoic acid
CID 64703484
2-(benzimidazol-1-yl)-N-(4-hydroxy-2-methylbutan-2-yl)propanamide
CID 115968731
4-(4,5-dimethylimidazol-1-yl)-2-methyl-2-(propan-2-ylamino)pentanoic acid
CID 64708137
N-[2-[2-(benzimidazol-1-yl)propanoylamino]ethyl]benzamide
CID 42959454
3-(benzimidazol-1-yl)-2-methylbutanoic acid
CID 79391700

Frequently Asked Questions

What is the IUPAC name of 4-(benzimidazol-1-yl)-2-methyl-2-(methylamino)pentanoic acid?
The IUPAC name of 4-(benzimidazol-1-yl)-2-methyl-2-(methylamino)pentanoic acid (CID 64703858) is 4-(benzimidazol-1-yl)-2-methyl-2-(methylamino)pentanoic acid.
What is the SMILES notation for 4-(benzimidazol-1-yl)-2-methyl-2-(methylamino)pentanoic acid?
The canonical SMILES for 4-(benzimidazol-1-yl)-2-methyl-2-(methylamino)pentanoic acid is CNC(C)(CC(C)n1cnc2ccccc21)C(=O)O.
What is the InChIKey of 4-(benzimidazol-1-yl)-2-methyl-2-(methylamino)pentanoic acid?
The InChIKey is ZPVSENKYDDOFFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3O2/c1-10(8-14(2,15-3)13(18)19)17-9-16-11-6-4-5-7-12(11)17/h4-7,9-10,15H,8H2,1-3H3,(H,18,19).
What are the key properties of 4-(benzimidazol-1-yl)-2-methyl-2-(methylamino)pentanoic acid?
4-(benzimidazol-1-yl)-2-methyl-2-(methylamino)pentanoic acid has a molecular weight of 261.32 g/mol, XLogP of 2.05, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(benzimidazol-1-yl)-2-methyl-2-(methylamino)pentanoic acid is sourced from PubChem (CID 64703858), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).