2-[(2-ethyl-7-methyl-3H-benzimidazol-5-yl)oxymethyl]-3-methylbenzoic acid

C19H20N2O3 — CID 70019080

IUPAC2-[(2-ethyl-7-methyl-3H-benzimidazol-5-yl)oxymethyl]-3-methylbenzoic acid
SMILESCCc1nc2c(C)cc(OCc3c(C)cccc3C(=O)O)cc2[nH]1
InChIInChI=1S/C19H20N2O3/c1-4-17-20-16-9-13(8-12(3)18(16)21-17)24-10-15-11(2)6-5-7-14(15)19(22)23/h5-9H,4,10H2,1-3H3,(H,20,21)(H,22,23)
InChIKeyRSPOHZLPTOLGGH-UHFFFAOYSA-N
MW324.38 g/mol
LogP4.02
Rot. Bonds5

About 2-[(2-ethyl-7-methyl-3H-benzimidazol-5-yl)oxymethyl]-3-methylbenzoic acid

2-[(2-ethyl-7-methyl-3H-benzimidazol-5-yl)oxymethyl]-3-methylbenzoic acid (PubChem CID 70019080) has the molecular formula C19H20N2O3 and a molecular weight of 324.38 g/mol. Its IUPAC name is 2-[(2-ethyl-7-methyl-3H-benzimidazol-5-yl)oxymethyl]-3-methylbenzoic acid.

Molecular Properties

Compound Name2-[(2-ethyl-7-methyl-3H-benzimidazol-5-yl)oxymethyl]-3-methylbenzoic acid
PubChem CID70019080
Molecular FormulaC19H20N2O3
Molecular Weight324.38 g/mol
Exact Mass324.15
IUPAC Name2-[(2-ethyl-7-methyl-3H-benzimidazol-5-yl)oxymethyl]-3-methylbenzoic acid
SMILESCCc1nc2c(C)cc(OCc3c(C)cccc3C(=O)O)cc2[nH]1
InChIInChI=1S/C19H20N2O3/c1-4-17-20-16-9-13(8-12(3)18(16)21-17)24-10-15-11(2)6-5-7-14(15)19(22)23/h5-9H,4,10H2,1-3H3,(H,20,21)(H,22,23)
InChIKeyRSPOHZLPTOLGGH-UHFFFAOYSA-N
XLogP4.02
TPSA75.21 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.38
LogP ≤ 54.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[(2-ethyl-3H-benzimidazol-5-yl)oxymethyl]benzoic acid
CID 84816254
2-[[4-[(2-ethyl-5,7-dimethyl-3H-benzimidazol-4-yl)methyl]phenoxy]methyl]benzoic acid
CID 67792862
4,6-dimethyl-2-(phenoxymethyl)-1H-benzimidazole
CID 82947655
2-[[3-(1-hydroxypentyl)phenoxy]methyl]-3-methylbenzoic acid
CID 70350508
2-[(1-hydroxypyrazol-3-yl)oxymethyl]-3-methylbenzoic acid
CID 126579823
1-[4-[(2-ethyl-7-methyl-3H-benzimidazol-5-yl)oxy]piperidin-1-yl]ethanimine
CID 142635933
2-(4,6-dimethyl-1H-benzimidazol-2-yl)acetic acid
CID 3159719
4-methyl-2-[(4-methylphenoxy)methyl]-1H-benzimidazole
CID 46264598
2-(hydroxymethyl)-1H-benzimidazole-4-carboxylic acid
CID 19759729
3-ethyl-2-(methoxymethyl)benzoic acid
CID 177243799
2-[(4-bromo-3,5-dimethylphenoxy)methyl]benzoic acid
CID 22687325
N-ethyl-N-[(4-methyl-1H-benzimidazol-2-yl)methoxy]carbamate
CID 23336078

Frequently Asked Questions

What is the IUPAC name of 2-[(2-ethyl-7-methyl-3H-benzimidazol-5-yl)oxymethyl]-3-methylbenzoic acid?
The IUPAC name of 2-[(2-ethyl-7-methyl-3H-benzimidazol-5-yl)oxymethyl]-3-methylbenzoic acid (CID 70019080) is 2-[(2-ethyl-7-methyl-3H-benzimidazol-5-yl)oxymethyl]-3-methylbenzoic acid.
What is the SMILES notation for 2-[(2-ethyl-7-methyl-3H-benzimidazol-5-yl)oxymethyl]-3-methylbenzoic acid?
The canonical SMILES for 2-[(2-ethyl-7-methyl-3H-benzimidazol-5-yl)oxymethyl]-3-methylbenzoic acid is CCc1nc2c(C)cc(OCc3c(C)cccc3C(=O)O)cc2[nH]1.
What is the InChIKey of 2-[(2-ethyl-7-methyl-3H-benzimidazol-5-yl)oxymethyl]-3-methylbenzoic acid?
The InChIKey is RSPOHZLPTOLGGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N2O3/c1-4-17-20-16-9-13(8-12(3)18(16)21-17)24-10-15-11(2)6-5-7-14(15)19(22)23/h5-9H,4,10H2,1-3H3,(H,20,21)(H,22,23).
What are the key properties of 2-[(2-ethyl-7-methyl-3H-benzimidazol-5-yl)oxymethyl]-3-methylbenzoic acid?
2-[(2-ethyl-7-methyl-3H-benzimidazol-5-yl)oxymethyl]-3-methylbenzoic acid has a molecular weight of 324.38 g/mol, XLogP of 4.02, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-ethyl-7-methyl-3H-benzimidazol-5-yl)oxymethyl]-3-methylbenzoic acid is sourced from PubChem (CID 70019080), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).