2-(2-propylbenzimidazol-1-yl)acetic acid

C12H14N2O2 — CID 605493

IUPAC2-(2-propylbenzimidazol-1-yl)acetic acid
SMILESCCCc1nc2ccccc2n1CC(=O)O
InChIInChI=1S/C12H14N2O2/c1-2-5-11-13-9-6-3-4-7-10(9)14(11)8-12(15)16/h3-4,6-7H,2,5,8H2,1H3,(H,15,16)
InChIKeySQKBAAWXVRUDNZ-UHFFFAOYSA-N
MW218.26 g/mol
LogP2.07
Rot. Bonds4

About 2-(2-propylbenzimidazol-1-yl)acetic acid

2-(2-propylbenzimidazol-1-yl)acetic acid (PubChem CID 605493) has the molecular formula C12H14N2O2 and a molecular weight of 218.26 g/mol. Its IUPAC name is 2-(2-propylbenzimidazol-1-yl)acetic acid.

Molecular Properties

Compound Name2-(2-propylbenzimidazol-1-yl)acetic acid
PubChem CID605493
Molecular FormulaC12H14N2O2
Molecular Weight218.26 g/mol
Exact Mass218.11
IUPAC Name2-(2-propylbenzimidazol-1-yl)acetic acid
SMILESCCCc1nc2ccccc2n1CC(=O)O
InChIInChI=1S/C12H14N2O2/c1-2-5-11-13-9-6-3-4-7-10(9)14(11)8-12(15)16/h3-4,6-7H,2,5,8H2,1H3,(H,15,16)
InChIKeySQKBAAWXVRUDNZ-UHFFFAOYSA-N
XLogP2.07
TPSA55.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.26
LogP ≤ 52.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(2-propylbenzimidazol-1-yl)acetic acid?
The IUPAC name of 2-(2-propylbenzimidazol-1-yl)acetic acid (CID 605493) is 2-(2-propylbenzimidazol-1-yl)acetic acid.
What is the SMILES notation for 2-(2-propylbenzimidazol-1-yl)acetic acid?
The canonical SMILES for 2-(2-propylbenzimidazol-1-yl)acetic acid is CCCc1nc2ccccc2n1CC(=O)O.
What is the InChIKey of 2-(2-propylbenzimidazol-1-yl)acetic acid?
The InChIKey is SQKBAAWXVRUDNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N2O2/c1-2-5-11-13-9-6-3-4-7-10(9)14(11)8-12(15)16/h3-4,6-7H,2,5,8H2,1H3,(H,15,16).
What are the key properties of 2-(2-propylbenzimidazol-1-yl)acetic acid?
2-(2-propylbenzimidazol-1-yl)acetic acid has a molecular weight of 218.26 g/mol, XLogP of 2.07, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-propylbenzimidazol-1-yl)acetic acid is sourced from PubChem (CID 605493), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).