2-[cyclopropyl(methyl)amino]-2-(2-methyl-3H-benzimidazol-5-yl)acetic acid

C14H17N3O2 — CID 116857491

IUPAC2-[cyclopropyl(methyl)amino]-2-(2-methyl-3H-benzimidazol-5-yl)acetic acid
SMILESCc1nc2ccc(C(C(=O)O)N(C)C3CC3)cc2[nH]1
InChIInChI=1S/C14H17N3O2/c1-8-15-11-6-3-9(7-12(11)16-8)13(14(18)19)17(2)10-4-5-10/h3,6-7,10,13H,4-5H2,1-2H3,(H,15,16)(H,18,19)
InChIKeyGCVNVVLIBPMHAF-UHFFFAOYSA-N
MW259.31 g/mol
LogP2.09
Rot. Bonds4

About 2-[cyclopropyl(methyl)amino]-2-(2-methyl-3H-benzimidazol-5-yl)acetic acid

2-[cyclopropyl(methyl)amino]-2-(2-methyl-3H-benzimidazol-5-yl)acetic acid (PubChem CID 116857491) has the molecular formula C14H17N3O2 and a molecular weight of 259.31 g/mol. Its IUPAC name is 2-[cyclopropyl(methyl)amino]-2-(2-methyl-3H-benzimidazol-5-yl)acetic acid.

Molecular Properties

Compound Name2-[cyclopropyl(methyl)amino]-2-(2-methyl-3H-benzimidazol-5-yl)acetic acid
PubChem CID116857491
Molecular FormulaC14H17N3O2
Molecular Weight259.31 g/mol
Exact Mass259.13
IUPAC Name2-[cyclopropyl(methyl)amino]-2-(2-methyl-3H-benzimidazol-5-yl)acetic acid
SMILESCc1nc2ccc(C(C(=O)O)N(C)C3CC3)cc2[nH]1
InChIInChI=1S/C14H17N3O2/c1-8-15-11-6-3-9(7-12(11)16-8)13(14(18)19)17(2)10-4-5-10/h3,6-7,10,13H,4-5H2,1-2H3,(H,15,16)(H,18,19)
InChIKeyGCVNVVLIBPMHAF-UHFFFAOYSA-N
XLogP2.09
TPSA69.22 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.31
LogP ≤ 52.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-(dimethylamino)-2-(2-methyl-3H-benzimidazol-5-yl)acetamide
CID 116914786
methyl 2-(dimethylamino)-2-(2-methyl-3H-benzimidazol-5-yl)acetate
CID 116857134
4-(dimethylamino)-4-(2-methyl-3H-benzimidazol-5-yl)butan-2-one
CID 116910560
2-[cyclopropyl(methyl)amino]-2-(1-methylbenzimidazol-5-yl)acetic acid
CID 116857492
2-methyl-6-propan-2-yl-1H-benzimidazole
CID 21069154
2-[cyclopropyl(methyl)amino]-2-(2,3-dihydro-1-benzofuran-5-yl)acetic acid
CID 116857496
3,4-diamino-4-(2-methyl-3H-benzimidazol-5-yl)butanoic acid
CID 116942840
1-[amino-(2-methyl-3H-benzimidazol-5-yl)methyl]cyclobutane-1-carboxylic acid
CID 116944102
2-(2-methyl-3H-benzimidazol-5-yl)-2-pyridin-2-ylacetic acid
CID 116824710
ethyl 2-hydroxy-2-(2-methyl-3H-benzimidazol-5-yl)acetate
CID 117340177
2-(methylamino)-2-(2-methyl-3H-benzimidazol-5-yl)acetamide
CID 116961662
3-amino-N-methyl-3-(2-methyl-3H-benzimidazol-5-yl)propanamide
CID 116850693

Frequently Asked Questions

What is the IUPAC name of 2-[cyclopropyl(methyl)amino]-2-(2-methyl-3H-benzimidazol-5-yl)acetic acid?
The IUPAC name of 2-[cyclopropyl(methyl)amino]-2-(2-methyl-3H-benzimidazol-5-yl)acetic acid (CID 116857491) is 2-[cyclopropyl(methyl)amino]-2-(2-methyl-3H-benzimidazol-5-yl)acetic acid.
What is the SMILES notation for 2-[cyclopropyl(methyl)amino]-2-(2-methyl-3H-benzimidazol-5-yl)acetic acid?
The canonical SMILES for 2-[cyclopropyl(methyl)amino]-2-(2-methyl-3H-benzimidazol-5-yl)acetic acid is Cc1nc2ccc(C(C(=O)O)N(C)C3CC3)cc2[nH]1.
What is the InChIKey of 2-[cyclopropyl(methyl)amino]-2-(2-methyl-3H-benzimidazol-5-yl)acetic acid?
The InChIKey is GCVNVVLIBPMHAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3O2/c1-8-15-11-6-3-9(7-12(11)16-8)13(14(18)19)17(2)10-4-5-10/h3,6-7,10,13H,4-5H2,1-2H3,(H,15,16)(H,18,19).
What are the key properties of 2-[cyclopropyl(methyl)amino]-2-(2-methyl-3H-benzimidazol-5-yl)acetic acid?
2-[cyclopropyl(methyl)amino]-2-(2-methyl-3H-benzimidazol-5-yl)acetic acid has a molecular weight of 259.31 g/mol, XLogP of 2.09, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[cyclopropyl(methyl)amino]-2-(2-methyl-3H-benzimidazol-5-yl)acetic acid is sourced from PubChem (CID 116857491), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).