4-[[(2-butyl-4-chloro-1H-imidazol-5-yl)methylamino]methyl]phenol

C15H20ClN3O — CID 114331440

IUPAC4-[[(2-butyl-4-chloro-1H-imidazol-5-yl)methylamino]methyl]phenol
SMILESCCCCc1nc(Cl)c(CNCc2ccc(O)cc2)[nH]1
InChIInChI=1S/C15H20ClN3O/c1-2-3-4-14-18-13(15(16)19-14)10-17-9-11-5-7-12(20)8-6-11/h5-8,17,20H,2-4,9-10H2,1H3,(H,18,19)
InChIKeyQFIKIHVRIJETMW-UHFFFAOYSA-N
MW293.80 g/mol
LogP3.40
Rot. Bonds7

About 4-[[(2-butyl-4-chloro-1H-imidazol-5-yl)methylamino]methyl]phenol

4-[[(2-butyl-4-chloro-1H-imidazol-5-yl)methylamino]methyl]phenol (PubChem CID 114331440) has the molecular formula C15H20ClN3O and a molecular weight of 293.80 g/mol. Its IUPAC name is 4-[[(2-butyl-4-chloro-1H-imidazol-5-yl)methylamino]methyl]phenol.

Molecular Properties

Compound Name4-[[(2-butyl-4-chloro-1H-imidazol-5-yl)methylamino]methyl]phenol
PubChem CID114331440
Molecular FormulaC15H20ClN3O
Molecular Weight293.80 g/mol
Exact Mass293.13
IUPAC Name4-[[(2-butyl-4-chloro-1H-imidazol-5-yl)methylamino]methyl]phenol
SMILESCCCCc1nc(Cl)c(CNCc2ccc(O)cc2)[nH]1
InChIInChI=1S/C15H20ClN3O/c1-2-3-4-14-18-13(15(16)19-14)10-17-9-11-5-7-12(20)8-6-11/h5-8,17,20H,2-4,9-10H2,1H3,(H,18,19)
InChIKeyQFIKIHVRIJETMW-UHFFFAOYSA-N
XLogP3.40
TPSA60.94 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.80
LogP ≤ 53.40
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

1-(2-butyl-4-chloro-1H-imidazol-5-yl)-N-(1,2,4-oxadiazol-3-ylmethyl)methanamine
CID 114182978
N-[(2-butyl-4-chloro-1H-imidazol-5-yl)methyl]-2-(2-methylpyrazol-3-yl)ethanamine
CID 103005187
1-(2-butyl-4-chloro-1H-imidazol-5-yl)-N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]methanamine
CID 107095487
1-(2-butyl-4-chloro-1H-imidazol-5-yl)-N-[(1-ethylcyclopropyl)methyl]methanamine
CID 107095115
2-[1-[[(2-butyl-4-chloro-1H-imidazol-5-yl)methylamino]methyl]cyclopropyl]ethanol
CID 114756106
5-[(2-butyl-4-chloro-1H-imidazol-5-yl)methylamino]-2-methylpentan-1-ol
CID 107095280
2-[3-[(2-butyl-4-chloro-1H-imidazol-5-yl)methylamino]propoxy]ethanol
CID 107095406
3-[[(2-butyl-4-chloro-1H-imidazol-5-yl)methylamino]methyl]cyclopentan-1-ol
CID 107095589
3-[(2-butyl-4-chloro-1H-imidazol-5-yl)methylamino]-N-propan-2-ylpropanamide
CID 115674392
1-(2-butyl-4-chloro-1H-imidazol-5-yl)-N-[(2-methylpropan-2-yl)oxy]methanamine
CID 82719572
N-[(2-butyl-4-chloro-1H-imidazol-5-yl)methyl]-2-methylpentan-2-amine
CID 113471623
(1R)-N-[(2-butyl-4-chloro-1H-imidazol-5-yl)methyl]-1-(4-fluorophenyl)ethanamine
CID 81350387

Frequently Asked Questions

What is the IUPAC name of 4-[[(2-butyl-4-chloro-1H-imidazol-5-yl)methylamino]methyl]phenol?
The IUPAC name of 4-[[(2-butyl-4-chloro-1H-imidazol-5-yl)methylamino]methyl]phenol (CID 114331440) is 4-[[(2-butyl-4-chloro-1H-imidazol-5-yl)methylamino]methyl]phenol.
What is the SMILES notation for 4-[[(2-butyl-4-chloro-1H-imidazol-5-yl)methylamino]methyl]phenol?
The canonical SMILES for 4-[[(2-butyl-4-chloro-1H-imidazol-5-yl)methylamino]methyl]phenol is CCCCc1nc(Cl)c(CNCc2ccc(O)cc2)[nH]1.
What is the InChIKey of 4-[[(2-butyl-4-chloro-1H-imidazol-5-yl)methylamino]methyl]phenol?
The InChIKey is QFIKIHVRIJETMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20ClN3O/c1-2-3-4-14-18-13(15(16)19-14)10-17-9-11-5-7-12(20)8-6-11/h5-8,17,20H,2-4,9-10H2,1H3,(H,18,19).
What are the key properties of 4-[[(2-butyl-4-chloro-1H-imidazol-5-yl)methylamino]methyl]phenol?
4-[[(2-butyl-4-chloro-1H-imidazol-5-yl)methylamino]methyl]phenol has a molecular weight of 293.80 g/mol, XLogP of 3.40, 7 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[(2-butyl-4-chloro-1H-imidazol-5-yl)methylamino]methyl]phenol is sourced from PubChem (CID 114331440), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).