1-[[(5-chloro-1-methylimidazol-2-yl)methylamino]methyl]cycloheptan-1-ol

C13H22ClN3O — CID 65122472

IUPAC1-[[(5-chloro-1-methylimidazol-2-yl)methylamino]methyl]cycloheptan-1-ol
SMILESCn1c(Cl)cnc1CNCC1(O)CCCCCC1
InChIInChI=1S/C13H22ClN3O/c1-17-11(14)8-16-12(17)9-15-10-13(18)6-4-2-3-5-7-13/h8,15,18H,2-7,9-10H2,1H3
InChIKeyWYCBCAGDFSUUJC-UHFFFAOYSA-N
MW271.79 g/mol
LogP2.25
Rot. Bonds4

About 1-[[(5-chloro-1-methylimidazol-2-yl)methylamino]methyl]cycloheptan-1-ol

1-[[(5-chloro-1-methylimidazol-2-yl)methylamino]methyl]cycloheptan-1-ol (PubChem CID 65122472) has the molecular formula C13H22ClN3O and a molecular weight of 271.79 g/mol. Its IUPAC name is 1-[[(5-chloro-1-methylimidazol-2-yl)methylamino]methyl]cycloheptan-1-ol.

Molecular Properties

Compound Name1-[[(5-chloro-1-methylimidazol-2-yl)methylamino]methyl]cycloheptan-1-ol
PubChem CID65122472
Molecular FormulaC13H22ClN3O
Molecular Weight271.79 g/mol
Exact Mass271.15
IUPAC Name1-[[(5-chloro-1-methylimidazol-2-yl)methylamino]methyl]cycloheptan-1-ol
SMILESCn1c(Cl)cnc1CNCC1(O)CCCCCC1
InChIInChI=1S/C13H22ClN3O/c1-17-11(14)8-16-12(17)9-15-10-13(18)6-4-2-3-5-7-13/h8,15,18H,2-7,9-10H2,1H3
InChIKeyWYCBCAGDFSUUJC-UHFFFAOYSA-N
XLogP2.25
TPSA50.08 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.79
LogP ≤ 52.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-[[(1-methyl-1,2,4-triazol-3-yl)methylamino]methyl]cyclohexan-1-ol
CID 103882321
1-[[(5-chloro-1,3-dimethylpyrazol-4-yl)methylamino]methyl]cycloheptan-1-ol
CID 111425320
1-[(pyrimidin-2-ylmethylamino)methyl]cycloheptan-1-ol
CID 65123258
1-[[(5-methylpyrazin-2-yl)methylamino]methyl]cyclopentan-1-ol
CID 65210694
1-[(5-chloro-1-methylimidazol-2-yl)methylamino]-3-ethylpentan-2-ol
CID 114168345
3-[(5-chloro-1-methylimidazol-2-yl)methylamino]-2-methylpropane-1,2-diol
CID 66186015
1-[[(2-methyl-1,3-thiazol-5-yl)methylamino]methyl]cyclopentan-1-ol
CID 63931851
1-[[(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)methylamino]methyl]cyclobutan-1-ol
CID 115621477
1-[[(2-methyltetrazol-5-yl)methylamino]methyl]cyclopentan-1-ol
CID 107042475
5-[(5-chloro-1-methylimidazol-2-yl)methylamino]pentan-2-ol
CID 106130407
(5-chloro-1-methylimidazol-2-yl)methanamine;dihydrochloride
CID 119057052
1-[[2-(1-methylimidazol-2-yl)ethylamino]methyl]cyclopentan-1-ol
CID 65210949

Frequently Asked Questions

What is the IUPAC name of 1-[[(5-chloro-1-methylimidazol-2-yl)methylamino]methyl]cycloheptan-1-ol?
The IUPAC name of 1-[[(5-chloro-1-methylimidazol-2-yl)methylamino]methyl]cycloheptan-1-ol (CID 65122472) is 1-[[(5-chloro-1-methylimidazol-2-yl)methylamino]methyl]cycloheptan-1-ol.
What is the SMILES notation for 1-[[(5-chloro-1-methylimidazol-2-yl)methylamino]methyl]cycloheptan-1-ol?
The canonical SMILES for 1-[[(5-chloro-1-methylimidazol-2-yl)methylamino]methyl]cycloheptan-1-ol is Cn1c(Cl)cnc1CNCC1(O)CCCCCC1.
What is the InChIKey of 1-[[(5-chloro-1-methylimidazol-2-yl)methylamino]methyl]cycloheptan-1-ol?
The InChIKey is WYCBCAGDFSUUJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22ClN3O/c1-17-11(14)8-16-12(17)9-15-10-13(18)6-4-2-3-5-7-13/h8,15,18H,2-7,9-10H2,1H3.
What are the key properties of 1-[[(5-chloro-1-methylimidazol-2-yl)methylamino]methyl]cycloheptan-1-ol?
1-[[(5-chloro-1-methylimidazol-2-yl)methylamino]methyl]cycloheptan-1-ol has a molecular weight of 271.79 g/mol, XLogP of 2.25, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[(5-chloro-1-methylimidazol-2-yl)methylamino]methyl]cycloheptan-1-ol is sourced from PubChem (CID 65122472), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).