2-(7-methoxy-1H-benzimidazol-4-yl)-3-(4-methoxyphenyl)propanoic acid

C18H18N2O4 — CID 67628147

IUPAC2-(7-methoxy-1H-benzimidazol-4-yl)-3-(4-methoxyphenyl)propanoic acid
SMILESCOc1ccc(CC(C(=O)O)c2ccc(OC)c3[nH]cnc23)cc1
InChIInChI=1S/C18H18N2O4/c1-23-12-5-3-11(4-6-12)9-14(18(21)22)13-7-8-15(24-2)17-16(13)19-10-20-17/h3-8,10,14H,9H2,1-2H3,(H,19,20)(H,21,22)
InChIKeyPNDWPGALAPLPKX-UHFFFAOYSA-N
MW326.35 g/mol
LogP2.99
Rot. Bonds6

About 2-(7-methoxy-1H-benzimidazol-4-yl)-3-(4-methoxyphenyl)propanoic acid

2-(7-methoxy-1H-benzimidazol-4-yl)-3-(4-methoxyphenyl)propanoic acid (PubChem CID 67628147) has the molecular formula C18H18N2O4 and a molecular weight of 326.35 g/mol. Its IUPAC name is 2-(7-methoxy-1H-benzimidazol-4-yl)-3-(4-methoxyphenyl)propanoic acid.

Molecular Properties

Compound Name2-(7-methoxy-1H-benzimidazol-4-yl)-3-(4-methoxyphenyl)propanoic acid
PubChem CID67628147
Molecular FormulaC18H18N2O4
Molecular Weight326.35 g/mol
Exact Mass326.13
IUPAC Name2-(7-methoxy-1H-benzimidazol-4-yl)-3-(4-methoxyphenyl)propanoic acid
SMILESCOc1ccc(CC(C(=O)O)c2ccc(OC)c3[nH]cnc23)cc1
InChIInChI=1S/C18H18N2O4/c1-23-12-5-3-11(4-6-12)9-14(18(21)22)13-7-8-15(24-2)17-16(13)19-10-20-17/h3-8,10,14H,9H2,1-2H3,(H,19,20)(H,21,22)
InChIKeyPNDWPGALAPLPKX-UHFFFAOYSA-N
XLogP2.99
TPSA84.44 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.35
LogP ≤ 52.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-(7-methoxy-1H-benzimidazol-4-yl)acetic acid
CID 131407690
3-(4-ethoxyphenyl)-2-(2-methoxyphenyl)propanoic acid
CID 82094741
2-(2-bromophenyl)-3-(4-methoxyphenyl)propanoic acid
CID 79439722
3-(3-hydroxy-4-methoxyphenyl)-2-(4-methoxy-2-methylphenyl)propanoic acid
CID 83950554
(2R)-3-(4-fluorophenyl)-2-(2-methoxyphenyl)propanoic acid
CID 42051191
2-(5-fluoropyrimidin-2-yl)-3-(4-methoxyphenyl)propanoic acid
CID 104606826
3-[4-(4-methoxyphenoxy)phenyl]-2-(4-methoxyphenyl)propanoic acid
CID 20986100
(7-methoxy-1H-benzimidazol-4-yl)methanol
CID 130983658
methyl 7-methoxy-1H-benzimidazole-4-carboxylate
CID 22663455
3-(4-methoxyphenyl)-2-(6-methylpyrimidin-4-yl)propanoic acid
CID 104573075
2-(2-methoxyphenyl)-3-[4-[(2-methylpropan-2-yl)oxy]phenyl]propanoic acid
CID 83953446
7-methoxy-N-[(4-methoxyphenyl)methyl]-1H-imidazo[4,5-c]pyridin-4-amine
CID 171481724

Frequently Asked Questions

What is the IUPAC name of 2-(7-methoxy-1H-benzimidazol-4-yl)-3-(4-methoxyphenyl)propanoic acid?
The IUPAC name of 2-(7-methoxy-1H-benzimidazol-4-yl)-3-(4-methoxyphenyl)propanoic acid (CID 67628147) is 2-(7-methoxy-1H-benzimidazol-4-yl)-3-(4-methoxyphenyl)propanoic acid.
What is the SMILES notation for 2-(7-methoxy-1H-benzimidazol-4-yl)-3-(4-methoxyphenyl)propanoic acid?
The canonical SMILES for 2-(7-methoxy-1H-benzimidazol-4-yl)-3-(4-methoxyphenyl)propanoic acid is COc1ccc(CC(C(=O)O)c2ccc(OC)c3[nH]cnc23)cc1.
What is the InChIKey of 2-(7-methoxy-1H-benzimidazol-4-yl)-3-(4-methoxyphenyl)propanoic acid?
The InChIKey is PNDWPGALAPLPKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N2O4/c1-23-12-5-3-11(4-6-12)9-14(18(21)22)13-7-8-15(24-2)17-16(13)19-10-20-17/h3-8,10,14H,9H2,1-2H3,(H,19,20)(H,21,22).
What are the key properties of 2-(7-methoxy-1H-benzimidazol-4-yl)-3-(4-methoxyphenyl)propanoic acid?
2-(7-methoxy-1H-benzimidazol-4-yl)-3-(4-methoxyphenyl)propanoic acid has a molecular weight of 326.35 g/mol, XLogP of 2.99, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(7-methoxy-1H-benzimidazol-4-yl)-3-(4-methoxyphenyl)propanoic acid is sourced from PubChem (CID 67628147), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).