2-[2-[3-(1-methylbenzimidazol-2-yl)propanoyl]-1,3-dihydroinden-2-yl]acetic acid

C22H22N2O3 — CID 157241684

IUPAC2-[2-[3-(1-methylbenzimidazol-2-yl)propanoyl]-1,3-dihydroinden-2-yl]acetic acid
SMILESCn1c(CCC(=O)C2(CC(=O)O)Cc3ccccc3C2)nc2ccccc21
InChIInChI=1S/C22H22N2O3/c1-24-18-9-5-4-8-17(18)23-20(24)11-10-19(25)22(14-21(26)27)12-15-6-2-3-7-16(15)13-22/h2-9H,10-14H2,1H3,(H,26,27)
InChIKeyAVHFDOPHPBPOFF-UHFFFAOYSA-N
MW362.43 g/mol
LogP3.33
Rot. Bonds6

About 2-[2-[3-(1-methylbenzimidazol-2-yl)propanoyl]-1,3-dihydroinden-2-yl]acetic acid

2-[2-[3-(1-methylbenzimidazol-2-yl)propanoyl]-1,3-dihydroinden-2-yl]acetic acid (PubChem CID 157241684) has the molecular formula C22H22N2O3 and a molecular weight of 362.43 g/mol. Its IUPAC name is 2-[2-[3-(1-methylbenzimidazol-2-yl)propanoyl]-1,3-dihydroinden-2-yl]acetic acid.

Molecular Properties

Compound Name2-[2-[3-(1-methylbenzimidazol-2-yl)propanoyl]-1,3-dihydroinden-2-yl]acetic acid
PubChem CID157241684
Molecular FormulaC22H22N2O3
Molecular Weight362.43 g/mol
Exact Mass362.16
IUPAC Name2-[2-[3-(1-methylbenzimidazol-2-yl)propanoyl]-1,3-dihydroinden-2-yl]acetic acid
SMILESCn1c(CCC(=O)C2(CC(=O)O)Cc3ccccc3C2)nc2ccccc21
InChIInChI=1S/C22H22N2O3/c1-24-18-9-5-4-8-17(18)23-20(24)11-10-19(25)22(14-21(26)27)12-15-6-2-3-7-16(15)13-22/h2-9H,10-14H2,1H3,(H,26,27)
InChIKeyAVHFDOPHPBPOFF-UHFFFAOYSA-N
XLogP3.33
TPSA72.19 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.43
LogP ≤ 53.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of 2-[2-[3-(1-methylbenzimidazol-2-yl)propanoyl]-1,3-dihydroinden-2-yl]acetic acid?
The IUPAC name of 2-[2-[3-(1-methylbenzimidazol-2-yl)propanoyl]-1,3-dihydroinden-2-yl]acetic acid (CID 157241684) is 2-[2-[3-(1-methylbenzimidazol-2-yl)propanoyl]-1,3-dihydroinden-2-yl]acetic acid.
What is the SMILES notation for 2-[2-[3-(1-methylbenzimidazol-2-yl)propanoyl]-1,3-dihydroinden-2-yl]acetic acid?
The canonical SMILES for 2-[2-[3-(1-methylbenzimidazol-2-yl)propanoyl]-1,3-dihydroinden-2-yl]acetic acid is Cn1c(CCC(=O)C2(CC(=O)O)Cc3ccccc3C2)nc2ccccc21.
What is the InChIKey of 2-[2-[3-(1-methylbenzimidazol-2-yl)propanoyl]-1,3-dihydroinden-2-yl]acetic acid?
The InChIKey is AVHFDOPHPBPOFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22N2O3/c1-24-18-9-5-4-8-17(18)23-20(24)11-10-19(25)22(14-21(26)27)12-15-6-2-3-7-16(15)13-22/h2-9H,10-14H2,1H3,(H,26,27).
What are the key properties of 2-[2-[3-(1-methylbenzimidazol-2-yl)propanoyl]-1,3-dihydroinden-2-yl]acetic acid?
2-[2-[3-(1-methylbenzimidazol-2-yl)propanoyl]-1,3-dihydroinden-2-yl]acetic acid has a molecular weight of 362.43 g/mol, XLogP of 3.33, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[3-(1-methylbenzimidazol-2-yl)propanoyl]-1,3-dihydroinden-2-yl]acetic acid is sourced from PubChem (CID 157241684), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).