1-[4-[[1-(2-cyclopentylethyl)benzimidazol-2-yl]amino]phenyl]-2-hydroxyethanone

C22H25N3O2 — CID 160773514

IUPAC1-[4-[[1-(2-cyclopentylethyl)benzimidazol-2-yl]amino]phenyl]-2-hydroxyethanone
SMILESO=C(CO)c1ccc(Nc2nc3ccccc3n2CCC2CCCC2)cc1
InChIInChI=1S/C22H25N3O2/c26-15-21(27)17-9-11-18(12-10-17)23-22-24-19-7-3-4-8-20(19)25(22)14-13-16-5-1-2-6-16/h3-4,7-12,16,26H,1-2,5-6,13-15H2,(H,23,24)
InChIKeyRZQDGRMKCAGQKE-UHFFFAOYSA-N
MW363.46 g/mol
LogP4.54
Rot. Bonds7

About 1-[4-[[1-(2-cyclopentylethyl)benzimidazol-2-yl]amino]phenyl]-2-hydroxyethanone

1-[4-[[1-(2-cyclopentylethyl)benzimidazol-2-yl]amino]phenyl]-2-hydroxyethanone (PubChem CID 160773514) has the molecular formula C22H25N3O2 and a molecular weight of 363.46 g/mol. Its IUPAC name is 1-[4-[[1-(2-cyclopentylethyl)benzimidazol-2-yl]amino]phenyl]-2-hydroxyethanone.

Molecular Properties

Compound Name1-[4-[[1-(2-cyclopentylethyl)benzimidazol-2-yl]amino]phenyl]-2-hydroxyethanone
PubChem CID160773514
Molecular FormulaC22H25N3O2
Molecular Weight363.46 g/mol
Exact Mass363.19
IUPAC Name1-[4-[[1-(2-cyclopentylethyl)benzimidazol-2-yl]amino]phenyl]-2-hydroxyethanone
SMILESO=C(CO)c1ccc(Nc2nc3ccccc3n2CCC2CCCC2)cc1
InChIInChI=1S/C22H25N3O2/c26-15-21(27)17-9-11-18(12-10-17)23-22-24-19-7-3-4-8-20(19)25(22)14-13-16-5-1-2-6-16/h3-4,7-12,16,26H,1-2,5-6,13-15H2,(H,23,24)
InChIKeyRZQDGRMKCAGQKE-UHFFFAOYSA-N
XLogP4.54
TPSA67.15 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.46
LogP ≤ 54.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

4-[[1-(2-cyclopentylethyl)benzimidazol-2-yl]amino]-N-hydroxybenzamide
CID 137378369
N-[[1-(2-cyclohexylethyl)benzimidazol-2-yl]methyl]oxolane-2-carboxamide
CID 16974025
N-[1-[1-(2-cyclohexylethyl)benzimidazol-2-yl]ethyl]cyclopropanecarboxamide
CID 16969660
N-[[1-(2-cyclohexylethyl)benzimidazol-2-yl]methyl]-4-fluorobenzamide
CID 17008872
N-[1-[1-(2-cyclohexylethyl)benzimidazol-2-yl]ethyl]-4-methylbenzamide
CID 16967207
N-[2-[1-(2-cyclohexylethyl)benzimidazol-2-yl]ethyl]-2-methylpropanamide
CID 955337
4-[(1-ethylbenzimidazol-2-yl)amino]-N-methylbenzamide
CID 73051445
2-(2-anilinobenzimidazol-1-yl)acetic acid
CID 15944452
N-[2-[1-(2-cyclohexylethyl)benzimidazol-2-yl]ethyl]pyridine-3-carboxamide
CID 16964275
1-(2-cyclohexylethyl)-2-(oxolan-2-yl)benzimidazole
CID 5298183
2-(2-anilinobenzimidazol-1-yl)ethanethiol
CID 135270626
N-(2-aminophenyl)-4-[(1-propylbenzimidazol-2-yl)amino]benzamide
CID 88993158

Frequently Asked Questions

What is the IUPAC name of 1-[4-[[1-(2-cyclopentylethyl)benzimidazol-2-yl]amino]phenyl]-2-hydroxyethanone?
The IUPAC name of 1-[4-[[1-(2-cyclopentylethyl)benzimidazol-2-yl]amino]phenyl]-2-hydroxyethanone (CID 160773514) is 1-[4-[[1-(2-cyclopentylethyl)benzimidazol-2-yl]amino]phenyl]-2-hydroxyethanone.
What is the SMILES notation for 1-[4-[[1-(2-cyclopentylethyl)benzimidazol-2-yl]amino]phenyl]-2-hydroxyethanone?
The canonical SMILES for 1-[4-[[1-(2-cyclopentylethyl)benzimidazol-2-yl]amino]phenyl]-2-hydroxyethanone is O=C(CO)c1ccc(Nc2nc3ccccc3n2CCC2CCCC2)cc1.
What is the InChIKey of 1-[4-[[1-(2-cyclopentylethyl)benzimidazol-2-yl]amino]phenyl]-2-hydroxyethanone?
The InChIKey is RZQDGRMKCAGQKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25N3O2/c26-15-21(27)17-9-11-18(12-10-17)23-22-24-19-7-3-4-8-20(19)25(22)14-13-16-5-1-2-6-16/h3-4,7-12,16,26H,1-2,5-6,13-15H2,(H,23,24).
What are the key properties of 1-[4-[[1-(2-cyclopentylethyl)benzimidazol-2-yl]amino]phenyl]-2-hydroxyethanone?
1-[4-[[1-(2-cyclopentylethyl)benzimidazol-2-yl]amino]phenyl]-2-hydroxyethanone has a molecular weight of 363.46 g/mol, XLogP of 4.54, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[[1-(2-cyclopentylethyl)benzimidazol-2-yl]amino]phenyl]-2-hydroxyethanone is sourced from PubChem (CID 160773514), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).