2-(2-methyl-5-pyrrolidin-1-ylbenzimidazol-1-yl)acetic acid

C14H17N3O2 — CID 83972340

IUPAC2-(2-methyl-5-pyrrolidin-1-ylbenzimidazol-1-yl)acetic acid
SMILESCc1nc2cc(N3CCCC3)ccc2n1CC(=O)O
InChIInChI=1S/C14H17N3O2/c1-10-15-12-8-11(16-6-2-3-7-16)4-5-13(12)17(10)9-14(18)19/h4-5,8H,2-3,6-7,9H2,1H3,(H,18,19)
InChIKeyAVQHBPXDGDQAOR-UHFFFAOYSA-N
MW259.31 g/mol
LogP2.03
Rot. Bonds3

About 2-(2-methyl-5-pyrrolidin-1-ylbenzimidazol-1-yl)acetic acid

2-(2-methyl-5-pyrrolidin-1-ylbenzimidazol-1-yl)acetic acid (PubChem CID 83972340) has the molecular formula C14H17N3O2 and a molecular weight of 259.31 g/mol. Its IUPAC name is 2-(2-methyl-5-pyrrolidin-1-ylbenzimidazol-1-yl)acetic acid.

Molecular Properties

Compound Name2-(2-methyl-5-pyrrolidin-1-ylbenzimidazol-1-yl)acetic acid
PubChem CID83972340
Molecular FormulaC14H17N3O2
Molecular Weight259.31 g/mol
Exact Mass259.13
IUPAC Name2-(2-methyl-5-pyrrolidin-1-ylbenzimidazol-1-yl)acetic acid
SMILESCc1nc2cc(N3CCCC3)ccc2n1CC(=O)O
InChIInChI=1S/C14H17N3O2/c1-10-15-12-8-11(16-6-2-3-7-16)4-5-13(12)17(10)9-14(18)19/h4-5,8H,2-3,6-7,9H2,1H3,(H,18,19)
InChIKeyAVQHBPXDGDQAOR-UHFFFAOYSA-N
XLogP2.03
TPSA58.36 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.31
LogP ≤ 52.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(2-methylbenzimidazol-1-yl)acetic acid
CID 75530217
2-[5-methyl-2-(1-pyrrolidin-1-ylethyl)benzimidazol-1-yl]acetic acid
CID 82310922
2-(2,6-dimethylbenzimidazol-1-yl)acetic acid
CID 84777822
2-(6-bromo-2-methylbenzimidazol-1-yl)acetic acid
CID 84808508
2-[5-(1,3-benzoxazol-2-yl)-2-methylbenzimidazol-1-yl]acetic acid
CID 67498083
2-(2-methylbenzimidazol-1-yl)-1-[4-(3-methylphenyl)piperazin-1-yl]ethanone
CID 51287699
2-(4-methyl-6-oxo-2-piperidin-1-ylpyrimidin-1-yl)acetic acid
CID 10933959
1-(2-cyclohexylethyl)-2-methylbenzimidazole-5-carboxylic acid
CID 63548848
1-(cyclopropylmethyl)-2-methylbenzimidazole-5-carboxylic acid
CID 43140453
2-methyl-1-[(1-methylcyclopentyl)methyl]benzimidazole-5-carboxylic acid
CID 63830134
1-[(3-hydroxycyclohexyl)methyl]-2-methylbenzimidazole-5-carboxylic acid
CID 106137169
2-(2-methylbenzimidazol-1-yl)-N-(2-methyl-4-thiomorpholin-4-ylphenyl)acetamide
CID 49364541

Frequently Asked Questions

What is the IUPAC name of 2-(2-methyl-5-pyrrolidin-1-ylbenzimidazol-1-yl)acetic acid?
The IUPAC name of 2-(2-methyl-5-pyrrolidin-1-ylbenzimidazol-1-yl)acetic acid (CID 83972340) is 2-(2-methyl-5-pyrrolidin-1-ylbenzimidazol-1-yl)acetic acid.
What is the SMILES notation for 2-(2-methyl-5-pyrrolidin-1-ylbenzimidazol-1-yl)acetic acid?
The canonical SMILES for 2-(2-methyl-5-pyrrolidin-1-ylbenzimidazol-1-yl)acetic acid is Cc1nc2cc(N3CCCC3)ccc2n1CC(=O)O.
What is the InChIKey of 2-(2-methyl-5-pyrrolidin-1-ylbenzimidazol-1-yl)acetic acid?
The InChIKey is AVQHBPXDGDQAOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3O2/c1-10-15-12-8-11(16-6-2-3-7-16)4-5-13(12)17(10)9-14(18)19/h4-5,8H,2-3,6-7,9H2,1H3,(H,18,19).
What are the key properties of 2-(2-methyl-5-pyrrolidin-1-ylbenzimidazol-1-yl)acetic acid?
2-(2-methyl-5-pyrrolidin-1-ylbenzimidazol-1-yl)acetic acid has a molecular weight of 259.31 g/mol, XLogP of 2.03, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methyl-5-pyrrolidin-1-ylbenzimidazol-1-yl)acetic acid is sourced from PubChem (CID 83972340), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).