N-[(1-methylbenzimidazol-2-yl)methyl]-1-(2-methylprop-2-enyl)piperidin-4-amine

C18H26N4 — CID 119124241

IUPACN-[(1-methylbenzimidazol-2-yl)methyl]-1-(2-methylprop-2-enyl)piperidin-4-amine
SMILESC=C(C)CN1CCC(NCc2nc3ccccc3n2C)CC1
InChIInChI=1S/C18H26N4/c1-14(2)13-22-10-8-15(9-11-22)19-12-18-20-16-6-4-5-7-17(16)21(18)3/h4-7,15,19H,1,8-13H2,2-3H3
InChIKeyIXVYGFKUZHAHAW-UHFFFAOYSA-N
MW298.43 g/mol
LogP2.70
Rot. Bonds5

About N-[(1-methylbenzimidazol-2-yl)methyl]-1-(2-methylprop-2-enyl)piperidin-4-amine

N-[(1-methylbenzimidazol-2-yl)methyl]-1-(2-methylprop-2-enyl)piperidin-4-amine (PubChem CID 119124241) has the molecular formula C18H26N4 and a molecular weight of 298.43 g/mol. Its IUPAC name is N-[(1-methylbenzimidazol-2-yl)methyl]-1-(2-methylprop-2-enyl)piperidin-4-amine.

Molecular Properties

Compound NameN-[(1-methylbenzimidazol-2-yl)methyl]-1-(2-methylprop-2-enyl)piperidin-4-amine
PubChem CID119124241
Molecular FormulaC18H26N4
Molecular Weight298.43 g/mol
Exact Mass298.22
IUPAC NameN-[(1-methylbenzimidazol-2-yl)methyl]-1-(2-methylprop-2-enyl)piperidin-4-amine
SMILESC=C(C)CN1CCC(NCc2nc3ccccc3n2C)CC1
InChIInChI=1S/C18H26N4/c1-14(2)13-22-10-8-15(9-11-22)19-12-18-20-16-6-4-5-7-17(16)21(18)3/h4-7,15,19H,1,8-13H2,2-3H3
InChIKeyIXVYGFKUZHAHAW-UHFFFAOYSA-N
XLogP2.70
TPSA33.09 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.43
LogP ≤ 52.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Analyze N-[(1-methylbenzimidazol-2-yl)methyl]-1-(2-methylprop-2-enyl)piperidin-4-amine 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-[(1-methylbenzimidazol-2-yl)methyl]oxan-4-amine
CID 63001270
N-[(1-methylbenzimidazol-2-yl)methyl]-1-methylsulfonylpiperidin-4-amine
CID 154747523
4-[(1-methylbenzimidazol-2-yl)methylamino]cyclohexane-1-carboxylic acid
CID 120509662
N-benzyl-1-(2-methylprop-2-enyl)piperidin-4-amine
CID 119124375
N-[(1-methylbenzimidazol-2-yl)methyl]-4-propylcyclohexan-1-amine
CID 60665222
3-[(1-methylbenzimidazol-2-yl)methylamino]cyclohexan-1-ol
CID 63002126
trans-(1R,2R)-2-[(1-methylbenzimidazol-2-yl)methylamino]cyclohexan-1-ol
CID 98562090
1-(1-ethylpiperidin-4-yl)-N-[(1-methylbenzimidazol-2-yl)methyl]methanamine
CID 63378932
2,2,3,3-tetramethyl-N-[(1-methylbenzimidazol-2-yl)methyl]cyclopropan-1-amine
CID 79351807
1-(2,2-difluoroethyl)-N-[(1-ethylbenzimidazol-2-yl)methyl]piperidin-4-amine
CID 71935215
1-methyl-2-[(4-methylpiperidin-1-yl)methyl]benzimidazole
CID 6491167
(1S)-N-[(1-methylbenzimidazol-2-yl)methyl]-2,3-dihydro-1H-inden-1-amine
CID 95177731

Frequently Asked Questions

What is the IUPAC name of N-[(1-methylbenzimidazol-2-yl)methyl]-1-(2-methylprop-2-enyl)piperidin-4-amine?
The IUPAC name of N-[(1-methylbenzimidazol-2-yl)methyl]-1-(2-methylprop-2-enyl)piperidin-4-amine (CID 119124241) is N-[(1-methylbenzimidazol-2-yl)methyl]-1-(2-methylprop-2-enyl)piperidin-4-amine.
What is the SMILES notation for N-[(1-methylbenzimidazol-2-yl)methyl]-1-(2-methylprop-2-enyl)piperidin-4-amine?
The canonical SMILES for N-[(1-methylbenzimidazol-2-yl)methyl]-1-(2-methylprop-2-enyl)piperidin-4-amine is C=C(C)CN1CCC(NCc2nc3ccccc3n2C)CC1.
What is the InChIKey of N-[(1-methylbenzimidazol-2-yl)methyl]-1-(2-methylprop-2-enyl)piperidin-4-amine?
The InChIKey is IXVYGFKUZHAHAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26N4/c1-14(2)13-22-10-8-15(9-11-22)19-12-18-20-16-6-4-5-7-17(16)21(18)3/h4-7,15,19H,1,8-13H2,2-3H3.
What are the key properties of N-[(1-methylbenzimidazol-2-yl)methyl]-1-(2-methylprop-2-enyl)piperidin-4-amine?
N-[(1-methylbenzimidazol-2-yl)methyl]-1-(2-methylprop-2-enyl)piperidin-4-amine has a molecular weight of 298.43 g/mol, XLogP of 2.70, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-methylbenzimidazol-2-yl)methyl]-1-(2-methylprop-2-enyl)piperidin-4-amine is sourced from PubChem (CID 119124241), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).