N-(furan-2-ylmethyl)-3-imidazol-1-yl-2-methylpropan-1-amine;hydrochloride

C12H18ClN3O — CID 115595868

IUPACN-(furan-2-ylmethyl)-3-imidazol-1-yl-2-methylpropan-1-amine;hydrochloride
SMILESCC(CNCc1ccco1)Cn1ccnc1.Cl
InChIInChI=1S/C12H17N3O.ClH/c1-11(9-15-5-4-13-10-15)7-14-8-12-3-2-6-16-12;/h2-6,10-11,14H,7-9H2,1H3;1H
InChIKeyKDNPGPLSRTUOOU-UHFFFAOYSA-N
MW255.75 g/mol
LogP2.32
Rot. Bonds6

About N-(furan-2-ylmethyl)-3-imidazol-1-yl-2-methylpropan-1-amine;hydrochloride

N-(furan-2-ylmethyl)-3-imidazol-1-yl-2-methylpropan-1-amine;hydrochloride (PubChem CID 115595868) has the molecular formula C12H18ClN3O and a molecular weight of 255.75 g/mol. Its IUPAC name is N-(furan-2-ylmethyl)-3-imidazol-1-yl-2-methylpropan-1-amine;hydrochloride.

Molecular Properties

Compound NameN-(furan-2-ylmethyl)-3-imidazol-1-yl-2-methylpropan-1-amine;hydrochloride
PubChem CID115595868
Molecular FormulaC12H18ClN3O
Molecular Weight255.75 g/mol
Exact Mass255.11
IUPAC NameN-(furan-2-ylmethyl)-3-imidazol-1-yl-2-methylpropan-1-amine;hydrochloride
SMILESCC(CNCc1ccco1)Cn1ccnc1.Cl
InChIInChI=1S/C12H17N3O.ClH/c1-11(9-15-5-4-13-10-15)7-14-8-12-3-2-6-16-12;/h2-6,10-11,14H,7-9H2,1H3;1H
InChIKeyKDNPGPLSRTUOOU-UHFFFAOYSA-N
XLogP2.32
TPSA42.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.75
LogP ≤ 52.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-(furan-2-ylmethyl)-3-imidazol-1-yl-2-methylpropan-1-amine;hydrochloride with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(furan-2-ylmethyl)-3-imidazol-1-ylpropan-1-amine
CID 17156294
N-(furan-2-ylmethyl)-4-imidazol-1-ylbutan-1-amine
CID 61067392
N-(furan-2-ylmethyl)-2-methylbutan-1-amine
CID 43200420
3-imidazol-1-yl-2-methyl-N-(thiophen-3-ylmethyl)propan-1-amine
CID 115595871
3-imidazol-1-yl-2-methyl-N-[[2-(trifluoromethyl)phenyl]methyl]propan-1-amine
CID 60595640
3-imidazol-1-yl-2-methyl-N-(1,3-thiazol-4-ylmethyl)propan-1-amine;hydrochloride
CID 115595862
3-imidazol-1-yl-2-methyl-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]propan-1-amine
CID 60595894
3-imidazol-1-yl-2-methyl-N-[(1-methylbenzimidazol-2-yl)methyl]propan-1-amine
CID 119110505
N-[[4-(difluoromethoxy)phenyl]methyl]-3-imidazol-1-yl-2-methylpropan-1-amine
CID 60595639
4-(furan-2-yl)-N-(3-imidazol-1-ylpropyl)butan-2-amine
CID 43478949
(2S)-N-[(6-fluoroquinolin-8-yl)methyl]-3-imidazol-1-yl-2-methylpropan-1-amine
CID 97226513
N-(furan-2-ylmethyl)-2-(2-methylimidazol-1-yl)propan-1-amine
CID 62563647

Frequently Asked Questions

What is the IUPAC name of N-(furan-2-ylmethyl)-3-imidazol-1-yl-2-methylpropan-1-amine;hydrochloride?
The IUPAC name of N-(furan-2-ylmethyl)-3-imidazol-1-yl-2-methylpropan-1-amine;hydrochloride (CID 115595868) is N-(furan-2-ylmethyl)-3-imidazol-1-yl-2-methylpropan-1-amine;hydrochloride.
What is the SMILES notation for N-(furan-2-ylmethyl)-3-imidazol-1-yl-2-methylpropan-1-amine;hydrochloride?
The canonical SMILES for N-(furan-2-ylmethyl)-3-imidazol-1-yl-2-methylpropan-1-amine;hydrochloride is CC(CNCc1ccco1)Cn1ccnc1.Cl.
What is the InChIKey of N-(furan-2-ylmethyl)-3-imidazol-1-yl-2-methylpropan-1-amine;hydrochloride?
The InChIKey is KDNPGPLSRTUOOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N3O.ClH/c1-11(9-15-5-4-13-10-15)7-14-8-12-3-2-6-16-12;/h2-6,10-11,14H,7-9H2,1H3;1H.
What are the key properties of N-(furan-2-ylmethyl)-3-imidazol-1-yl-2-methylpropan-1-amine;hydrochloride?
N-(furan-2-ylmethyl)-3-imidazol-1-yl-2-methylpropan-1-amine;hydrochloride has a molecular weight of 255.75 g/mol, XLogP of 2.32, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(furan-2-ylmethyl)-3-imidazol-1-yl-2-methylpropan-1-amine;hydrochloride is sourced from PubChem (CID 115595868), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).