2-[4-chloro-2-[1-[2-(hydroxymethyl)-3H-benzimidazol-5-yl]imidazol-2-yl]phenoxy]acetic acid

C19H15ClN4O4 — CID 138806357

IUPAC2-[4-chloro-2-[1-[2-(hydroxymethyl)-3H-benzimidazol-5-yl]imidazol-2-yl]phenoxy]acetic acid
SMILESO=C(O)COc1ccc(Cl)cc1-c1nccn1-c1ccc2nc(CO)[nH]c2c1
InChIInChI=1S/C19H15ClN4O4/c20-11-1-4-16(28-10-18(26)27)13(7-11)19-21-5-6-24(19)12-2-3-14-15(8-12)23-17(9-25)22-14/h1-8,25H,9-10H2,(H,22,23)(H,26,27)
InChIKeyONNKUQRXUKYZDM-UHFFFAOYSA-N
MW398.81 g/mol
LogP3.02
Rot. Bonds6

About 2-[4-chloro-2-[1-[2-(hydroxymethyl)-3H-benzimidazol-5-yl]imidazol-2-yl]phenoxy]acetic acid

2-[4-chloro-2-[1-[2-(hydroxymethyl)-3H-benzimidazol-5-yl]imidazol-2-yl]phenoxy]acetic acid (PubChem CID 138806357) has the molecular formula C19H15ClN4O4 and a molecular weight of 398.81 g/mol. Its IUPAC name is 2-[4-chloro-2-[1-[2-(hydroxymethyl)-3H-benzimidazol-5-yl]imidazol-2-yl]phenoxy]acetic acid.

Molecular Properties

Compound Name2-[4-chloro-2-[1-[2-(hydroxymethyl)-3H-benzimidazol-5-yl]imidazol-2-yl]phenoxy]acetic acid
PubChem CID138806357
Molecular FormulaC19H15ClN4O4
Molecular Weight398.81 g/mol
Exact Mass398.08
IUPAC Name2-[4-chloro-2-[1-[2-(hydroxymethyl)-3H-benzimidazol-5-yl]imidazol-2-yl]phenoxy]acetic acid
SMILESO=C(O)COc1ccc(Cl)cc1-c1nccn1-c1ccc2nc(CO)[nH]c2c1
InChIInChI=1S/C19H15ClN4O4/c20-11-1-4-16(28-10-18(26)27)13(7-11)19-21-5-6-24(19)12-2-3-14-15(8-12)23-17(9-25)22-14/h1-8,25H,9-10H2,(H,22,23)(H,26,27)
InChIKeyONNKUQRXUKYZDM-UHFFFAOYSA-N
XLogP3.02
TPSA113.26 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.81
LogP ≤ 53.02
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Analyze 2-[4-chloro-2-[1-[2-(hydroxymethyl)-3H-benzimidazol-5-yl]imidazol-2-yl]phenoxy]acetic acid with MolForge

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Related Compounds

[6-[2-(3-phenyl-1,2-oxazol-5-yl)imidazol-1-yl]-1H-benzimidazol-2-yl]methanol
CID 56877480
[6-[2-(2H-pyrazolo[3,4-b]pyridin-3-yl)imidazol-1-yl]-1H-benzimidazol-2-yl]methanol
CID 139598813
[6-[2-(3-methylimidazol-4-yl)imidazol-1-yl]-1H-benzimidazol-2-yl]methanol
CID 138806757
[6-[2-[4-[1-(dimethylamino)ethyl]phenyl]imidazol-1-yl]-1H-benzimidazol-2-yl]methanol
CID 138806845
2-[4-(6-chloro-1H-benzimidazol-2-yl)phenoxy]acetic acid
CID 45408654
2-[(2,4-dichlorophenoxy)methyl]-3H-benzimidazole-5-carboxylic acid
CID 24812205
2-(4-chloro-2-methylphenoxy)-N-[(6-methyl-1H-benzimidazol-2-yl)methyl]acetamide
CID 30158519
[6-[2-(hydroxymethyl)-3H-benzimidazol-5-yl]-1H-benzimidazol-2-yl]methanol
CID 816966
2-[(1,6-dimethyl-4-oxo-3-pyridinyl)oxy]-N-[2-(hydroxymethyl)-3H-benzimidazol-5-yl]acetamide
CID 125431781
tris(2-(2,4-dichlorophenoxy)acetic acid);samarium
CID 164580360
sodium 2-(2,4-dichlorophenoxy)acetic acid
CID 91996937
4-[(6-chloro-1H-benzimidazol-2-yl)methoxy]-3-[(4-methylphenyl)methoxy]benzoic acid
CID 59886987

Frequently Asked Questions

What is the IUPAC name of 2-[4-chloro-2-[1-[2-(hydroxymethyl)-3H-benzimidazol-5-yl]imidazol-2-yl]phenoxy]acetic acid?
The IUPAC name of 2-[4-chloro-2-[1-[2-(hydroxymethyl)-3H-benzimidazol-5-yl]imidazol-2-yl]phenoxy]acetic acid (CID 138806357) is 2-[4-chloro-2-[1-[2-(hydroxymethyl)-3H-benzimidazol-5-yl]imidazol-2-yl]phenoxy]acetic acid.
What is the SMILES notation for 2-[4-chloro-2-[1-[2-(hydroxymethyl)-3H-benzimidazol-5-yl]imidazol-2-yl]phenoxy]acetic acid?
The canonical SMILES for 2-[4-chloro-2-[1-[2-(hydroxymethyl)-3H-benzimidazol-5-yl]imidazol-2-yl]phenoxy]acetic acid is O=C(O)COc1ccc(Cl)cc1-c1nccn1-c1ccc2nc(CO)[nH]c2c1.
What is the InChIKey of 2-[4-chloro-2-[1-[2-(hydroxymethyl)-3H-benzimidazol-5-yl]imidazol-2-yl]phenoxy]acetic acid?
The InChIKey is ONNKUQRXUKYZDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15ClN4O4/c20-11-1-4-16(28-10-18(26)27)13(7-11)19-21-5-6-24(19)12-2-3-14-15(8-12)23-17(9-25)22-14/h1-8,25H,9-10H2,(H,22,23)(H,26,27).
What are the key properties of 2-[4-chloro-2-[1-[2-(hydroxymethyl)-3H-benzimidazol-5-yl]imidazol-2-yl]phenoxy]acetic acid?
2-[4-chloro-2-[1-[2-(hydroxymethyl)-3H-benzimidazol-5-yl]imidazol-2-yl]phenoxy]acetic acid has a molecular weight of 398.81 g/mol, XLogP of 3.02, 6 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-chloro-2-[1-[2-(hydroxymethyl)-3H-benzimidazol-5-yl]imidazol-2-yl]phenoxy]acetic acid is sourced from PubChem (CID 138806357), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).