2-[2-[tert-butyl(methyl)amino]benzimidazol-1-yl]acetic acid

C14H19N3O2 — CID 115144077

IUPAC2-[2-[tert-butyl(methyl)amino]benzimidazol-1-yl]acetic acid
SMILESCN(c1nc2ccccc2n1CC(=O)O)C(C)(C)C
InChIInChI=1S/C14H19N3O2/c1-14(2,3)16(4)13-15-10-7-5-6-8-11(10)17(13)9-12(18)19/h5-8H,9H2,1-4H3,(H,18,19)
InChIKeyUUQMAWPOZLOSEZ-UHFFFAOYSA-N
MW261.32 g/mol
LogP2.36
Rot. Bonds3

About 2-[2-[tert-butyl(methyl)amino]benzimidazol-1-yl]acetic acid

2-[2-[tert-butyl(methyl)amino]benzimidazol-1-yl]acetic acid (PubChem CID 115144077) has the molecular formula C14H19N3O2 and a molecular weight of 261.32 g/mol. Its IUPAC name is 2-[2-[tert-butyl(methyl)amino]benzimidazol-1-yl]acetic acid.

Molecular Properties

Compound Name2-[2-[tert-butyl(methyl)amino]benzimidazol-1-yl]acetic acid
PubChem CID115144077
Molecular FormulaC14H19N3O2
Molecular Weight261.32 g/mol
Exact Mass261.15
IUPAC Name2-[2-[tert-butyl(methyl)amino]benzimidazol-1-yl]acetic acid
SMILESCN(c1nc2ccccc2n1CC(=O)O)C(C)(C)C
InChIInChI=1S/C14H19N3O2/c1-14(2,3)16(4)13-15-10-7-5-6-8-11(10)17(13)9-12(18)19/h5-8H,9H2,1-4H3,(H,18,19)
InChIKeyUUQMAWPOZLOSEZ-UHFFFAOYSA-N
XLogP2.36
TPSA58.36 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.32
LogP ≤ 52.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[2-[tert-butyl(methyl)amino]benzimidazol-1-yl]ethanol
CID 115144108
2-(2-methylbenzimidazol-1-yl)acetic acid
CID 75530217
2-(2-phenylbenzimidazol-1-yl)acetic acid
CID 619876
2-[2-(1,1,2,2,2-pentafluoroethyl)benzimidazol-1-yl]acetic acid
CID 43248585
2-[2-(2-methylphenyl)benzimidazol-1-yl]acetic acid
CID 43349122
2-(2-hydrazinylbenzimidazol-1-yl)acetic acid
CID 2773162
2-(2-anilinobenzimidazol-1-yl)acetic acid
CID 15944452
2-[2-(2-methyl-4-pyridinyl)benzimidazol-1-yl]acetic acid
CID 106753326
2-[2-(5-methylthiophen-2-yl)benzimidazol-1-yl]acetic acid
CID 43168780
2-[2-(furan-3-yl)benzimidazol-1-yl]acetic acid
CID 43349125
2-(2-propylsulfanylbenzimidazol-1-yl)acetic acid
CID 2772432
2-[2-[4-[3-(dimethylamino)propoxy]phenyl]benzimidazol-1-yl]acetic acid
CID 22684807

Frequently Asked Questions

What is the IUPAC name of 2-[2-[tert-butyl(methyl)amino]benzimidazol-1-yl]acetic acid?
The IUPAC name of 2-[2-[tert-butyl(methyl)amino]benzimidazol-1-yl]acetic acid (CID 115144077) is 2-[2-[tert-butyl(methyl)amino]benzimidazol-1-yl]acetic acid.
What is the SMILES notation for 2-[2-[tert-butyl(methyl)amino]benzimidazol-1-yl]acetic acid?
The canonical SMILES for 2-[2-[tert-butyl(methyl)amino]benzimidazol-1-yl]acetic acid is CN(c1nc2ccccc2n1CC(=O)O)C(C)(C)C.
What is the InChIKey of 2-[2-[tert-butyl(methyl)amino]benzimidazol-1-yl]acetic acid?
The InChIKey is UUQMAWPOZLOSEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3O2/c1-14(2,3)16(4)13-15-10-7-5-6-8-11(10)17(13)9-12(18)19/h5-8H,9H2,1-4H3,(H,18,19).
What are the key properties of 2-[2-[tert-butyl(methyl)amino]benzimidazol-1-yl]acetic acid?
2-[2-[tert-butyl(methyl)amino]benzimidazol-1-yl]acetic acid has a molecular weight of 261.32 g/mol, XLogP of 2.36, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[tert-butyl(methyl)amino]benzimidazol-1-yl]acetic acid is sourced from PubChem (CID 115144077), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).