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

C14H24ClN3O — CID 107095589

IUPAC3-[[(2-butyl-4-chloro-1H-imidazol-5-yl)methylamino]methyl]cyclopentan-1-ol
SMILESCCCCc1nc(Cl)c(CNCC2CCC(O)C2)[nH]1
InChIInChI=1S/C14H24ClN3O/c1-2-3-4-13-17-12(14(15)18-13)9-16-8-10-5-6-11(19)7-10/h10-11,16,19H,2-9H2,1H3,(H,17,18)
InChIKeyLYJLTHPSOWSJKX-UHFFFAOYSA-N
MW285.82 g/mol
LogP2.66
Rot. Bonds7

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

3-[[(2-butyl-4-chloro-1H-imidazol-5-yl)methylamino]methyl]cyclopentan-1-ol (PubChem CID 107095589) has the molecular formula C14H24ClN3O and a molecular weight of 285.82 g/mol. Its IUPAC name is 3-[[(2-butyl-4-chloro-1H-imidazol-5-yl)methylamino]methyl]cyclopentan-1-ol.

Molecular Properties

Compound Name3-[[(2-butyl-4-chloro-1H-imidazol-5-yl)methylamino]methyl]cyclopentan-1-ol
PubChem CID107095589
Molecular FormulaC14H24ClN3O
Molecular Weight285.82 g/mol
Exact Mass285.16
IUPAC Name3-[[(2-butyl-4-chloro-1H-imidazol-5-yl)methylamino]methyl]cyclopentan-1-ol
SMILESCCCCc1nc(Cl)c(CNCC2CCC(O)C2)[nH]1
InChIInChI=1S/C14H24ClN3O/c1-2-3-4-13-17-12(14(15)18-13)9-16-8-10-5-6-11(19)7-10/h10-11,16,19H,2-9H2,1H3,(H,17,18)
InChIKeyLYJLTHPSOWSJKX-UHFFFAOYSA-N
XLogP2.66
TPSA60.94 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.82
LogP ≤ 52.66
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-ethylcyclopropyl)methyl]methanamine
CID 107095115
2-[1-[[(2-butyl-4-chloro-1H-imidazol-5-yl)methylamino]methyl]cyclopropyl]ethanol
CID 114756106
3-[[(2-butyl-4-chloro-1H-imidazol-5-yl)methylamino]methyl]-2-methyloxolan-3-ol
CID 107272296
4-[[(2-butyl-4-chloro-1H-imidazol-5-yl)methylamino]methyl]phenol
CID 114331440
1-(2-butyl-4-chloro-1H-imidazol-5-yl)-N-[(1-methylsulfanylcyclobutyl)methyl]methanamine
CID 107272042
N-[(2-butyl-4-chloro-1H-imidazol-5-yl)methyl]-1-(trifluoromethyl)cyclopropan-1-amine
CID 106210296
3-[(2-butyl-4-chloro-1H-imidazol-5-yl)methylamino]-N-propan-2-ylpropanamide
CID 115674392
3-[(heptylamino)methyl]cyclopentan-1-ol
CID 106120745
1-(2-butyl-4-chloro-1H-imidazol-5-yl)-N-(1,2,4-oxadiazol-3-ylmethyl)methanamine
CID 114182978
2-butyl-4-chloro-5-(2-methylpropyl)-1H-imidazole
CID 58592722
3-[[(6-chloro-5-methyl-2-propylpyrimidin-4-yl)amino]methyl]cyclopentan-1-ol
CID 114148518
(2S,4R)-4-amino-1-[(2-butyl-4-chloro-1H-imidazol-5-yl)methyl]-N-methylpyrrolidine-2-carboxamide
CID 56708773

Frequently Asked Questions

What is the IUPAC name of 3-[[(2-butyl-4-chloro-1H-imidazol-5-yl)methylamino]methyl]cyclopentan-1-ol?
The IUPAC name of 3-[[(2-butyl-4-chloro-1H-imidazol-5-yl)methylamino]methyl]cyclopentan-1-ol (CID 107095589) is 3-[[(2-butyl-4-chloro-1H-imidazol-5-yl)methylamino]methyl]cyclopentan-1-ol.
What is the SMILES notation for 3-[[(2-butyl-4-chloro-1H-imidazol-5-yl)methylamino]methyl]cyclopentan-1-ol?
The canonical SMILES for 3-[[(2-butyl-4-chloro-1H-imidazol-5-yl)methylamino]methyl]cyclopentan-1-ol is CCCCc1nc(Cl)c(CNCC2CCC(O)C2)[nH]1.
What is the InChIKey of 3-[[(2-butyl-4-chloro-1H-imidazol-5-yl)methylamino]methyl]cyclopentan-1-ol?
The InChIKey is LYJLTHPSOWSJKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24ClN3O/c1-2-3-4-13-17-12(14(15)18-13)9-16-8-10-5-6-11(19)7-10/h10-11,16,19H,2-9H2,1H3,(H,17,18).
What are the key properties of 3-[[(2-butyl-4-chloro-1H-imidazol-5-yl)methylamino]methyl]cyclopentan-1-ol?
3-[[(2-butyl-4-chloro-1H-imidazol-5-yl)methylamino]methyl]cyclopentan-1-ol has a molecular weight of 285.82 g/mol, XLogP of 2.66, 7 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[(2-butyl-4-chloro-1H-imidazol-5-yl)methylamino]methyl]cyclopentan-1-ol is sourced from PubChem (CID 107095589), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).