2-[2-(cyclopropylmethyl)-5,6-dimethylbenzimidazol-1-yl]acetic acid

C15H18N2O2 — CID 62335822

IUPAC2-[2-(cyclopropylmethyl)-5,6-dimethylbenzimidazol-1-yl]acetic acid
SMILESCc1cc2nc(CC3CC3)n(CC(=O)O)c2cc1C
InChIInChI=1S/C15H18N2O2/c1-9-5-12-13(6-10(9)2)17(8-15(18)19)14(16-12)7-11-3-4-11/h5-6,11H,3-4,7-8H2,1-2H3,(H,18,19)
InChIKeyHOABIAWAIBNIIX-UHFFFAOYSA-N
MW258.32 g/mol
LogP2.69
Rot. Bonds4

About 2-[2-(cyclopropylmethyl)-5,6-dimethylbenzimidazol-1-yl]acetic acid

2-[2-(cyclopropylmethyl)-5,6-dimethylbenzimidazol-1-yl]acetic acid (PubChem CID 62335822) has the molecular formula C15H18N2O2 and a molecular weight of 258.32 g/mol. Its IUPAC name is 2-[2-(cyclopropylmethyl)-5,6-dimethylbenzimidazol-1-yl]acetic acid.

Molecular Properties

Compound Name2-[2-(cyclopropylmethyl)-5,6-dimethylbenzimidazol-1-yl]acetic acid
PubChem CID62335822
Molecular FormulaC15H18N2O2
Molecular Weight258.32 g/mol
Exact Mass258.14
IUPAC Name2-[2-(cyclopropylmethyl)-5,6-dimethylbenzimidazol-1-yl]acetic acid
SMILESCc1cc2nc(CC3CC3)n(CC(=O)O)c2cc1C
InChIInChI=1S/C15H18N2O2/c1-9-5-12-13(6-10(9)2)17(8-15(18)19)14(16-12)7-11-3-4-11/h5-6,11H,3-4,7-8H2,1-2H3,(H,18,19)
InChIKeyHOABIAWAIBNIIX-UHFFFAOYSA-N
XLogP2.69
TPSA55.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.32
LogP ≤ 52.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[2-(cyclopropylmethyl)-5,6-dimethylbenzimidazol-1-yl]acetic acid?
The IUPAC name of 2-[2-(cyclopropylmethyl)-5,6-dimethylbenzimidazol-1-yl]acetic acid (CID 62335822) is 2-[2-(cyclopropylmethyl)-5,6-dimethylbenzimidazol-1-yl]acetic acid.
What is the SMILES notation for 2-[2-(cyclopropylmethyl)-5,6-dimethylbenzimidazol-1-yl]acetic acid?
The canonical SMILES for 2-[2-(cyclopropylmethyl)-5,6-dimethylbenzimidazol-1-yl]acetic acid is Cc1cc2nc(CC3CC3)n(CC(=O)O)c2cc1C.
What is the InChIKey of 2-[2-(cyclopropylmethyl)-5,6-dimethylbenzimidazol-1-yl]acetic acid?
The InChIKey is HOABIAWAIBNIIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2O2/c1-9-5-12-13(6-10(9)2)17(8-15(18)19)14(16-12)7-11-3-4-11/h5-6,11H,3-4,7-8H2,1-2H3,(H,18,19).
What are the key properties of 2-[2-(cyclopropylmethyl)-5,6-dimethylbenzimidazol-1-yl]acetic acid?
2-[2-(cyclopropylmethyl)-5,6-dimethylbenzimidazol-1-yl]acetic acid has a molecular weight of 258.32 g/mol, XLogP of 2.69, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(cyclopropylmethyl)-5,6-dimethylbenzimidazol-1-yl]acetic acid is sourced from PubChem (CID 62335822), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).