N-methyl-5-[[2-(1-methylimidazol-2-yl)piperazin-1-yl]methyl]-N-propan-2-ylpyridin-2-amine;hydrochloride

C18H29ClN6 — CID 120912459

IUPACN-methyl-5-[[2-(1-methylimidazol-2-yl)piperazin-1-yl]methyl]-N-propan-2-ylpyridin-2-amine;hydrochloride
SMILESCC(C)N(C)c1ccc(CN2CCNCC2c2nccn2C)cn1.Cl
InChIInChI=1S/C18H28N6.ClH/c1-14(2)23(4)17-6-5-15(11-21-17)13-24-10-7-19-12-16(24)18-20-8-9-22(18)3;/h5-6,8-9,11,14,16,19H,7,10,12-13H2,1-4H3;1H
InChIKeyRLDMUYBSJZEKAT-UHFFFAOYSA-N
MW364.93 g/mol
LogP2.23
Rot. Bonds5

About N-methyl-5-[[2-(1-methylimidazol-2-yl)piperazin-1-yl]methyl]-N-propan-2-ylpyridin-2-amine;hydrochloride

N-methyl-5-[[2-(1-methylimidazol-2-yl)piperazin-1-yl]methyl]-N-propan-2-ylpyridin-2-amine;hydrochloride (PubChem CID 120912459) has the molecular formula C18H29ClN6 and a molecular weight of 364.93 g/mol. Its IUPAC name is N-methyl-5-[[2-(1-methylimidazol-2-yl)piperazin-1-yl]methyl]-N-propan-2-ylpyridin-2-amine;hydrochloride.

Molecular Properties

Compound NameN-methyl-5-[[2-(1-methylimidazol-2-yl)piperazin-1-yl]methyl]-N-propan-2-ylpyridin-2-amine;hydrochloride
PubChem CID120912459
Molecular FormulaC18H29ClN6
Molecular Weight364.93 g/mol
Exact Mass364.21
IUPAC NameN-methyl-5-[[2-(1-methylimidazol-2-yl)piperazin-1-yl]methyl]-N-propan-2-ylpyridin-2-amine;hydrochloride
SMILESCC(C)N(C)c1ccc(CN2CCNCC2c2nccn2C)cn1.Cl
InChIInChI=1S/C18H28N6.ClH/c1-14(2)23(4)17-6-5-15(11-21-17)13-24-10-7-19-12-16(24)18-20-8-9-22(18)3;/h5-6,8-9,11,14,16,19H,7,10,12-13H2,1-4H3;1H
InChIKeyRLDMUYBSJZEKAT-UHFFFAOYSA-N
XLogP2.23
TPSA49.22 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.93
LogP ≤ 52.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze N-methyl-5-[[2-(1-methylimidazol-2-yl)piperazin-1-yl]methyl]-N-propan-2-ylpyridin-2-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

1-[(4-fluorophenyl)methyl]-2-(1-methylimidazol-2-yl)piperazine;hydrochloride
CID 120869959
2-(1-methylimidazol-2-yl)-1-[[4-(2-methylpropoxy)phenyl]methyl]piperazine;hydrochloride
CID 120911839
1-[[4-(difluoromethylsulfonyl)phenyl]methyl]-2-(1-methylimidazol-2-yl)piperazine
CID 120870987
2-(1-methylimidazol-2-yl)-1-[[1-(2-methylpropyl)pyrazol-4-yl]methyl]piperazine
CID 120912226
N-[4-[[2-(1-methylimidazol-2-yl)piperazin-1-yl]methyl]phenyl]acetamide;hydrochloride
CID 120911721
1-(2,3-dihydro-1-benzofuran-5-ylmethyl)-2-(1-methylimidazol-2-yl)piperazine;hydrochloride
CID 120912365
2-(1-methylimidazol-2-yl)-1-[[4-[(1-methylimidazol-2-yl)methoxy]phenyl]methyl]piperazine
CID 120871475
1-[(3,5-dimethoxyphenyl)methyl]-2-(1-methylimidazol-2-yl)piperazine
CID 120911740
3-fluoro-5-[[2-(1-methylimidazol-2-yl)piperazin-1-yl]methyl]phenol;hydrochloride
CID 120912083
3-methyl-5-[[2-(1-methylimidazol-2-yl)piperazin-1-yl]methyl]-2H-pyrazolo[3,4-b]pyridine;hydrochloride
CID 120912179
1-[(2,3-difluorophenyl)methyl]-2-(1-methylimidazol-2-yl)piperazine
CID 120869814
1-[(1-tert-butylpyrazol-4-yl)methyl]-2-(1-methylimidazol-2-yl)piperazine
CID 120911966

Frequently Asked Questions

What is the IUPAC name of N-methyl-5-[[2-(1-methylimidazol-2-yl)piperazin-1-yl]methyl]-N-propan-2-ylpyridin-2-amine;hydrochloride?
The IUPAC name of N-methyl-5-[[2-(1-methylimidazol-2-yl)piperazin-1-yl]methyl]-N-propan-2-ylpyridin-2-amine;hydrochloride (CID 120912459) is N-methyl-5-[[2-(1-methylimidazol-2-yl)piperazin-1-yl]methyl]-N-propan-2-ylpyridin-2-amine;hydrochloride.
What is the SMILES notation for N-methyl-5-[[2-(1-methylimidazol-2-yl)piperazin-1-yl]methyl]-N-propan-2-ylpyridin-2-amine;hydrochloride?
The canonical SMILES for N-methyl-5-[[2-(1-methylimidazol-2-yl)piperazin-1-yl]methyl]-N-propan-2-ylpyridin-2-amine;hydrochloride is CC(C)N(C)c1ccc(CN2CCNCC2c2nccn2C)cn1.Cl.
What is the InChIKey of N-methyl-5-[[2-(1-methylimidazol-2-yl)piperazin-1-yl]methyl]-N-propan-2-ylpyridin-2-amine;hydrochloride?
The InChIKey is RLDMUYBSJZEKAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28N6.ClH/c1-14(2)23(4)17-6-5-15(11-21-17)13-24-10-7-19-12-16(24)18-20-8-9-22(18)3;/h5-6,8-9,11,14,16,19H,7,10,12-13H2,1-4H3;1H.
What are the key properties of N-methyl-5-[[2-(1-methylimidazol-2-yl)piperazin-1-yl]methyl]-N-propan-2-ylpyridin-2-amine;hydrochloride?
N-methyl-5-[[2-(1-methylimidazol-2-yl)piperazin-1-yl]methyl]-N-propan-2-ylpyridin-2-amine;hydrochloride has a molecular weight of 364.93 g/mol, XLogP of 2.23, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-5-[[2-(1-methylimidazol-2-yl)piperazin-1-yl]methyl]-N-propan-2-ylpyridin-2-amine;hydrochloride is sourced from PubChem (CID 120912459), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).