O-[cyclohexyl-[4-[(1-methylbenzimidazol-2-yl)methoxy]phenyl]methyl]hydroxylamine

C22H27N3O2 — CID 10595008

IUPACO-[cyclohexyl-[4-[(1-methylbenzimidazol-2-yl)methoxy]phenyl]methyl]hydroxylamine
SMILESCn1c(COc2ccc(C(ON)C3CCCCC3)cc2)nc2ccccc21
InChIInChI=1S/C22H27N3O2/c1-25-20-10-6-5-9-19(20)24-21(25)15-26-18-13-11-17(12-14-18)22(27-23)16-7-3-2-4-8-16/h5-6,9-14,16,22H,2-4,7-8,15,23H2,1H3
InChIKeyDQQKNMWTEVPPKI-UHFFFAOYSA-N
MW365.48 g/mol
LogP4.66
Rot. Bonds6

About O-[cyclohexyl-[4-[(1-methylbenzimidazol-2-yl)methoxy]phenyl]methyl]hydroxylamine

O-[cyclohexyl-[4-[(1-methylbenzimidazol-2-yl)methoxy]phenyl]methyl]hydroxylamine (PubChem CID 10595008) has the molecular formula C22H27N3O2 and a molecular weight of 365.48 g/mol. Its IUPAC name is O-[cyclohexyl-[4-[(1-methylbenzimidazol-2-yl)methoxy]phenyl]methyl]hydroxylamine.

Molecular Properties

Compound NameO-[cyclohexyl-[4-[(1-methylbenzimidazol-2-yl)methoxy]phenyl]methyl]hydroxylamine
PubChem CID10595008
Molecular FormulaC22H27N3O2
Molecular Weight365.48 g/mol
Exact Mass365.21
IUPAC NameO-[cyclohexyl-[4-[(1-methylbenzimidazol-2-yl)methoxy]phenyl]methyl]hydroxylamine
SMILESCn1c(COc2ccc(C(ON)C3CCCCC3)cc2)nc2ccccc21
InChIInChI=1S/C22H27N3O2/c1-25-20-10-6-5-9-19(20)24-21(25)15-26-18-13-11-17(12-14-18)22(27-23)16-7-3-2-4-8-16/h5-6,9-14,16,22H,2-4,7-8,15,23H2,1H3
InChIKeyDQQKNMWTEVPPKI-UHFFFAOYSA-N
XLogP4.66
TPSA62.30 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.48
LogP ≤ 54.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

cyclohexyl-[4-[(1-methylbenzimidazol-2-yl)methoxy]phenyl]methanol
CID 10641616
(2E)-2-[cyclohexyl-[4-[(1-methylbenzimidazol-2-yl)methoxy]phenyl]methoxy]iminopropanoic acid
CID 10646537
3-[4-[(1-methylbenzimidazol-2-yl)methoxy]phenyl]-2-sulfanylpropanamide
CID 141073954
1-cyclobutyl-2-(1-methylbenzimidazol-2-yl)ethanamine
CID 79750402
1-cycloheptyl-3-(1-methylbenzimidazol-2-yl)propan-2-amine
CID 105007666
2-[(4-chlorophenoxy)methyl]-1-(2-cyclohexylethyl)benzimidazole
CID 3631447
(1R)-1-(4-ethoxyphenyl)-2-(1-methylbenzimidazol-2-yl)ethanol
CID 763733
1-methyl-2-[[4-(1-methyl-4-pyridin-4-ylpyrazol-3-yl)phenoxy]methyl]benzimidazole
CID 23648644
O-[2-cyclohexyl-1-[4-(quinolin-2-ylmethoxy)phenyl]ethyl]hydroxylamine
CID 10619562
1-methyl-2-[[4-(2-pyridin-4-ylimidazol-1-yl)phenoxy]methyl]benzimidazole
CID 23648786
4-cyclopentyl-1-(1-methylbenzimidazol-2-yl)butan-2-amine
CID 105007641
2-[(1-methylbenzimidazol-2-yl)methyl]cyclohexan-1-ol
CID 79750115

Frequently Asked Questions

What is the IUPAC name of O-[cyclohexyl-[4-[(1-methylbenzimidazol-2-yl)methoxy]phenyl]methyl]hydroxylamine?
The IUPAC name of O-[cyclohexyl-[4-[(1-methylbenzimidazol-2-yl)methoxy]phenyl]methyl]hydroxylamine (CID 10595008) is O-[cyclohexyl-[4-[(1-methylbenzimidazol-2-yl)methoxy]phenyl]methyl]hydroxylamine.
What is the SMILES notation for O-[cyclohexyl-[4-[(1-methylbenzimidazol-2-yl)methoxy]phenyl]methyl]hydroxylamine?
The canonical SMILES for O-[cyclohexyl-[4-[(1-methylbenzimidazol-2-yl)methoxy]phenyl]methyl]hydroxylamine is Cn1c(COc2ccc(C(ON)C3CCCCC3)cc2)nc2ccccc21.
What is the InChIKey of O-[cyclohexyl-[4-[(1-methylbenzimidazol-2-yl)methoxy]phenyl]methyl]hydroxylamine?
The InChIKey is DQQKNMWTEVPPKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H27N3O2/c1-25-20-10-6-5-9-19(20)24-21(25)15-26-18-13-11-17(12-14-18)22(27-23)16-7-3-2-4-8-16/h5-6,9-14,16,22H,2-4,7-8,15,23H2,1H3.
What are the key properties of O-[cyclohexyl-[4-[(1-methylbenzimidazol-2-yl)methoxy]phenyl]methyl]hydroxylamine?
O-[cyclohexyl-[4-[(1-methylbenzimidazol-2-yl)methoxy]phenyl]methyl]hydroxylamine has a molecular weight of 365.48 g/mol, XLogP of 4.66, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for O-[cyclohexyl-[4-[(1-methylbenzimidazol-2-yl)methoxy]phenyl]methyl]hydroxylamine is sourced from PubChem (CID 10595008), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).