3-[[(2-butyl-4-chloro-1H-imidazol-5-yl)methylamino]methyl]-2-methyloxolan-3-ol

C14H24ClN3O2 — CID 107272296

IUPAC3-[[(2-butyl-4-chloro-1H-imidazol-5-yl)methylamino]methyl]-2-methyloxolan-3-ol
SMILESCCCCc1nc(Cl)c(CNCC2(O)CCOC2C)[nH]1
InChIInChI=1S/C14H24ClN3O2/c1-3-4-5-12-17-11(13(15)18-12)8-16-9-14(19)6-7-20-10(14)2/h10,16,19H,3-9H2,1-2H3,(H,17,18)
InChIKeyJBLPVXBINWXSMY-UHFFFAOYSA-N
MW301.82 g/mol
LogP2.04
Rot. Bonds7

About 3-[[(2-butyl-4-chloro-1H-imidazol-5-yl)methylamino]methyl]-2-methyloxolan-3-ol

3-[[(2-butyl-4-chloro-1H-imidazol-5-yl)methylamino]methyl]-2-methyloxolan-3-ol (PubChem CID 107272296) has the molecular formula C14H24ClN3O2 and a molecular weight of 301.82 g/mol. Its IUPAC name is 3-[[(2-butyl-4-chloro-1H-imidazol-5-yl)methylamino]methyl]-2-methyloxolan-3-ol.

Molecular Properties

Compound Name3-[[(2-butyl-4-chloro-1H-imidazol-5-yl)methylamino]methyl]-2-methyloxolan-3-ol
PubChem CID107272296
Molecular FormulaC14H24ClN3O2
Molecular Weight301.82 g/mol
Exact Mass301.16
IUPAC Name3-[[(2-butyl-4-chloro-1H-imidazol-5-yl)methylamino]methyl]-2-methyloxolan-3-ol
SMILESCCCCc1nc(Cl)c(CNCC2(O)CCOC2C)[nH]1
InChIInChI=1S/C14H24ClN3O2/c1-3-4-5-12-17-11(13(15)18-12)8-16-9-14(19)6-7-20-10(14)2/h10,16,19H,3-9H2,1-2H3,(H,17,18)
InChIKeyJBLPVXBINWXSMY-UHFFFAOYSA-N
XLogP2.04
TPSA70.17 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.82
LogP ≤ 52.04
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

2-[1-[[(2-butyl-4-chloro-1H-imidazol-5-yl)methylamino]methyl]cyclopropyl]ethanol
CID 114756106
1-(2-butyl-4-chloro-1H-imidazol-5-yl)-N-[(1-ethylcyclopropyl)methyl]methanamine
CID 107095115
1-(2-butyl-4-chloro-1H-imidazol-5-yl)-N-[(1-methylsulfanylcyclobutyl)methyl]methanamine
CID 107272042
3-[[(2-butyl-4-chloro-1H-imidazol-5-yl)methylamino]methyl]cyclopentan-1-ol
CID 107095589
5-[(2-butyl-4-chloro-1H-imidazol-5-yl)methylamino]-2-methylpentan-1-ol
CID 107095280
4-[[(2-butyl-4-chloro-1H-imidazol-5-yl)methylamino]methyl]phenol
CID 114331440
N-[(2-butyl-4-chloro-1H-imidazol-5-yl)methyl]-1-(trifluoromethyl)cyclopropan-1-amine
CID 106210296
3-[[(5-chloro-1,3-thiazol-2-yl)methylamino]methyl]-2-methyloxolan-3-ol
CID 107268308
3-[[(2-chloro-1-benzofuran-3-yl)methylamino]methyl]-2-methyloxolan-3-ol
CID 107268423
3-[[(3-chloro-4-pyridinyl)methylamino]methyl]-2-methyloxolan-3-ol
CID 114143498
3-[(2-butyl-4-chloro-1H-imidazol-5-yl)methylamino]-N-propan-2-ylpropanamide
CID 115674392
(2S,3R)-3-[(benzylamino)methyl]-2-methyloxolan-3-ol
CID 98041266

Frequently Asked Questions

What is the IUPAC name of 3-[[(2-butyl-4-chloro-1H-imidazol-5-yl)methylamino]methyl]-2-methyloxolan-3-ol?
The IUPAC name of 3-[[(2-butyl-4-chloro-1H-imidazol-5-yl)methylamino]methyl]-2-methyloxolan-3-ol (CID 107272296) is 3-[[(2-butyl-4-chloro-1H-imidazol-5-yl)methylamino]methyl]-2-methyloxolan-3-ol.
What is the SMILES notation for 3-[[(2-butyl-4-chloro-1H-imidazol-5-yl)methylamino]methyl]-2-methyloxolan-3-ol?
The canonical SMILES for 3-[[(2-butyl-4-chloro-1H-imidazol-5-yl)methylamino]methyl]-2-methyloxolan-3-ol is CCCCc1nc(Cl)c(CNCC2(O)CCOC2C)[nH]1.
What is the InChIKey of 3-[[(2-butyl-4-chloro-1H-imidazol-5-yl)methylamino]methyl]-2-methyloxolan-3-ol?
The InChIKey is JBLPVXBINWXSMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24ClN3O2/c1-3-4-5-12-17-11(13(15)18-12)8-16-9-14(19)6-7-20-10(14)2/h10,16,19H,3-9H2,1-2H3,(H,17,18).
What are the key properties of 3-[[(2-butyl-4-chloro-1H-imidazol-5-yl)methylamino]methyl]-2-methyloxolan-3-ol?
3-[[(2-butyl-4-chloro-1H-imidazol-5-yl)methylamino]methyl]-2-methyloxolan-3-ol has a molecular weight of 301.82 g/mol, XLogP of 2.04, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[(2-butyl-4-chloro-1H-imidazol-5-yl)methylamino]methyl]-2-methyloxolan-3-ol is sourced from PubChem (CID 107272296), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).