3-[(2,5-dichloro-3-methylimidazol-4-yl)methylamino]butan-1-ol

C9H15Cl2N3O — CID 115684419

IUPAC3-[(2,5-dichloro-3-methylimidazol-4-yl)methylamino]butan-1-ol
SMILESCC(CCO)NCc1c(Cl)nc(Cl)n1C
InChIInChI=1S/C9H15Cl2N3O/c1-6(3-4-15)12-5-7-8(10)13-9(11)14(7)2/h6,12,15H,3-5H2,1-2H3
InChIKeyYPEWEQFBEVLMTI-UHFFFAOYSA-N
MW252.14 g/mol
LogP1.59
Rot. Bonds5

About 3-[(2,5-dichloro-3-methylimidazol-4-yl)methylamino]butan-1-ol

3-[(2,5-dichloro-3-methylimidazol-4-yl)methylamino]butan-1-ol (PubChem CID 115684419) has the molecular formula C9H15Cl2N3O and a molecular weight of 252.14 g/mol. Its IUPAC name is 3-[(2,5-dichloro-3-methylimidazol-4-yl)methylamino]butan-1-ol.

Molecular Properties

Compound Name3-[(2,5-dichloro-3-methylimidazol-4-yl)methylamino]butan-1-ol
PubChem CID115684419
Molecular FormulaC9H15Cl2N3O
Molecular Weight252.14 g/mol
Exact Mass251.06
IUPAC Name3-[(2,5-dichloro-3-methylimidazol-4-yl)methylamino]butan-1-ol
SMILESCC(CCO)NCc1c(Cl)nc(Cl)n1C
InChIInChI=1S/C9H15Cl2N3O/c1-6(3-4-15)12-5-7-8(10)13-9(11)14(7)2/h6,12,15H,3-5H2,1-2H3
InChIKeyYPEWEQFBEVLMTI-UHFFFAOYSA-N
XLogP1.59
TPSA50.08 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.14
LogP ≤ 51.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-[(2,5-dichloro-3-methylimidazol-4-yl)methylamino]propan-2-ol
CID 115684226
3-[[2-(dimethylamino)-3-methylimidazol-4-yl]methylamino]butan-1-ol
CID 83177602
(3R)-3-[(2-chlorophenyl)methylamino]butan-1-ol
CID 103854781
3-[(1-ethylpyrazol-4-yl)methylamino]butan-1-ol
CID 78998031
6-[(4-hydroxybutan-2-ylamino)methyl]-1,3-dimethylpyrimidine-2,4-dione
CID 83176702
3-[(4,5-dimethyl-1,3-thiazol-2-yl)methylamino]butan-1-ol
CID 83176829
3-[(2-tert-butyl-1,3-thiazol-4-yl)methylamino]butan-1-ol
CID 111436836
N-[(2-chloro-3-methylimidazol-4-yl)methyl]-6-methylhept-5-en-2-amine
CID 154865378
3-[(1-ethylbenzimidazol-2-yl)methylamino]butan-1-ol
CID 78998124
4-bromo-N-[(4-chloro-3-ethyl-1-methylpyrazol-5-yl)methyl]butan-2-amine
CID 83188403
3-[(2-propan-2-yl-1,3-thiazol-4-yl)methylamino]butan-1-ol
CID 111436912
3-(ethylamino)butan-1-ol
CID 12636119

Frequently Asked Questions

What is the IUPAC name of 3-[(2,5-dichloro-3-methylimidazol-4-yl)methylamino]butan-1-ol?
The IUPAC name of 3-[(2,5-dichloro-3-methylimidazol-4-yl)methylamino]butan-1-ol (CID 115684419) is 3-[(2,5-dichloro-3-methylimidazol-4-yl)methylamino]butan-1-ol.
What is the SMILES notation for 3-[(2,5-dichloro-3-methylimidazol-4-yl)methylamino]butan-1-ol?
The canonical SMILES for 3-[(2,5-dichloro-3-methylimidazol-4-yl)methylamino]butan-1-ol is CC(CCO)NCc1c(Cl)nc(Cl)n1C.
What is the InChIKey of 3-[(2,5-dichloro-3-methylimidazol-4-yl)methylamino]butan-1-ol?
The InChIKey is YPEWEQFBEVLMTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15Cl2N3O/c1-6(3-4-15)12-5-7-8(10)13-9(11)14(7)2/h6,12,15H,3-5H2,1-2H3.
What are the key properties of 3-[(2,5-dichloro-3-methylimidazol-4-yl)methylamino]butan-1-ol?
3-[(2,5-dichloro-3-methylimidazol-4-yl)methylamino]butan-1-ol has a molecular weight of 252.14 g/mol, XLogP of 1.59, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2,5-dichloro-3-methylimidazol-4-yl)methylamino]butan-1-ol is sourced from PubChem (CID 115684419), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).