2-[3-[(2-cyclobutyl-3H-benzimidazol-5-yl)carbamoyl]phenoxy]acetic acid

C20H19N3O4 — CID 119183366

IUPAC2-[3-[(2-cyclobutyl-3H-benzimidazol-5-yl)carbamoyl]phenoxy]acetic acid
SMILESO=C(O)COc1cccc(C(=O)Nc2ccc3nc(C4CCC4)[nH]c3c2)c1
InChIInChI=1S/C20H19N3O4/c24-18(25)11-27-15-6-2-5-13(9-15)20(26)21-14-7-8-16-17(10-14)23-19(22-16)12-3-1-4-12/h2,5-10,12H,1,3-4,11H2,(H,21,26)(H,22,23)(H,24,25)
InChIKeyGBOPLOQCOBOTDP-UHFFFAOYSA-N
MW365.39 g/mol
LogP3.55
Rot. Bonds6

About 2-[3-[(2-cyclobutyl-3H-benzimidazol-5-yl)carbamoyl]phenoxy]acetic acid

2-[3-[(2-cyclobutyl-3H-benzimidazol-5-yl)carbamoyl]phenoxy]acetic acid (PubChem CID 119183366) has the molecular formula C20H19N3O4 and a molecular weight of 365.39 g/mol. Its IUPAC name is 2-[3-[(2-cyclobutyl-3H-benzimidazol-5-yl)carbamoyl]phenoxy]acetic acid.

Molecular Properties

Compound Name2-[3-[(2-cyclobutyl-3H-benzimidazol-5-yl)carbamoyl]phenoxy]acetic acid
PubChem CID119183366
Molecular FormulaC20H19N3O4
Molecular Weight365.39 g/mol
Exact Mass365.14
IUPAC Name2-[3-[(2-cyclobutyl-3H-benzimidazol-5-yl)carbamoyl]phenoxy]acetic acid
SMILESO=C(O)COc1cccc(C(=O)Nc2ccc3nc(C4CCC4)[nH]c3c2)c1
InChIInChI=1S/C20H19N3O4/c24-18(25)11-27-15-6-2-5-13(9-15)20(26)21-14-7-8-16-17(10-14)23-19(22-16)12-3-1-4-12/h2,5-10,12H,1,3-4,11H2,(H,21,26)(H,22,23)(H,24,25)
InChIKeyGBOPLOQCOBOTDP-UHFFFAOYSA-N
XLogP3.55
TPSA104.31 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.39
LogP ≤ 53.55
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze 2-[3-[(2-cyclobutyl-3H-benzimidazol-5-yl)carbamoyl]phenoxy]acetic acid with MolForge

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Related Compounds

N-(2-cyclohexyl-3H-benzimidazol-5-yl)-3-methoxybenzamide;N-methylmethanamine
CID 118096520
N-(2-cyclopentyl-3H-benzimidazol-5-yl)pyridine-3-carboxamide;hydrochloride
CID 110779436
N-(2-cyclobutyl-3H-benzimidazol-5-yl)furan-3-carboxamide
CID 52827537
6-chloro-N-(2-cyclobutyl-3H-benzimidazol-5-yl)pyridine-3-carboxamide
CID 60613227
N-(2-cyclopentyl-3H-benzimidazol-5-yl)pyridine-2-carboxamide
CID 110793292
N-(2-cyclohexyl-3H-benzimidazol-5-yl)-4-(difluoromethoxy)benzamide
CID 118096524
2-[3-[(4-fluorophenyl)carbamoyl]phenoxy]acetic acid
CID 28762936
N-(2-cyclobutyl-3H-benzimidazol-5-yl)-9,10,10-trioxothioxanthene-3-carboxamide
CID 154834472
N-(2-cyclobutyl-3H-benzimidazol-5-yl)-4-(2-oxopyrrolidin-1-yl)benzamide
CID 60613246
N-(2-cyclopentyl-3H-benzimidazol-5-yl)butanamide
CID 110779431
2-[3-[[4-(2-cyclopropyl-1,3-oxazol-5-yl)phenyl]carbamoyl]phenoxy]acetic acid
CID 166155490
2-cyclopentyl-3H-benzimidazole-5-carboxylic acid
CID 43168815

Frequently Asked Questions

What is the IUPAC name of 2-[3-[(2-cyclobutyl-3H-benzimidazol-5-yl)carbamoyl]phenoxy]acetic acid?
The IUPAC name of 2-[3-[(2-cyclobutyl-3H-benzimidazol-5-yl)carbamoyl]phenoxy]acetic acid (CID 119183366) is 2-[3-[(2-cyclobutyl-3H-benzimidazol-5-yl)carbamoyl]phenoxy]acetic acid.
What is the SMILES notation for 2-[3-[(2-cyclobutyl-3H-benzimidazol-5-yl)carbamoyl]phenoxy]acetic acid?
The canonical SMILES for 2-[3-[(2-cyclobutyl-3H-benzimidazol-5-yl)carbamoyl]phenoxy]acetic acid is O=C(O)COc1cccc(C(=O)Nc2ccc3nc(C4CCC4)[nH]c3c2)c1.
What is the InChIKey of 2-[3-[(2-cyclobutyl-3H-benzimidazol-5-yl)carbamoyl]phenoxy]acetic acid?
The InChIKey is GBOPLOQCOBOTDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19N3O4/c24-18(25)11-27-15-6-2-5-13(9-15)20(26)21-14-7-8-16-17(10-14)23-19(22-16)12-3-1-4-12/h2,5-10,12H,1,3-4,11H2,(H,21,26)(H,22,23)(H,24,25).
What are the key properties of 2-[3-[(2-cyclobutyl-3H-benzimidazol-5-yl)carbamoyl]phenoxy]acetic acid?
2-[3-[(2-cyclobutyl-3H-benzimidazol-5-yl)carbamoyl]phenoxy]acetic acid has a molecular weight of 365.39 g/mol, XLogP of 3.55, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-[(2-cyclobutyl-3H-benzimidazol-5-yl)carbamoyl]phenoxy]acetic acid is sourced from PubChem (CID 119183366), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).