N-[(1-methylbenzimidazol-2-yl)methyl]-1-methylsulfonylpiperidin-4-amine

C15H22N4O2S — CID 154747523

IUPACN-[(1-methylbenzimidazol-2-yl)methyl]-1-methylsulfonylpiperidin-4-amine
SMILESCn1c(CNC2CCN(S(C)(=O)=O)CC2)nc2ccccc21
InChIInChI=1S/C15H22N4O2S/c1-18-14-6-4-3-5-13(14)17-15(18)11-16-12-7-9-19(10-8-12)22(2,20)21/h3-6,12,16H,7-11H2,1-2H3
InChIKeyHGELSQQUASZBQN-UHFFFAOYSA-N
MW322.43 g/mol
LogP1.09
Rot. Bonds4

About N-[(1-methylbenzimidazol-2-yl)methyl]-1-methylsulfonylpiperidin-4-amine

N-[(1-methylbenzimidazol-2-yl)methyl]-1-methylsulfonylpiperidin-4-amine (PubChem CID 154747523) has the molecular formula C15H22N4O2S and a molecular weight of 322.43 g/mol. Its IUPAC name is N-[(1-methylbenzimidazol-2-yl)methyl]-1-methylsulfonylpiperidin-4-amine.

Molecular Properties

Compound NameN-[(1-methylbenzimidazol-2-yl)methyl]-1-methylsulfonylpiperidin-4-amine
PubChem CID154747523
Molecular FormulaC15H22N4O2S
Molecular Weight322.43 g/mol
Exact Mass322.15
IUPAC NameN-[(1-methylbenzimidazol-2-yl)methyl]-1-methylsulfonylpiperidin-4-amine
SMILESCn1c(CNC2CCN(S(C)(=O)=O)CC2)nc2ccccc21
InChIInChI=1S/C15H22N4O2S/c1-18-14-6-4-3-5-13(14)17-15(18)11-16-12-7-9-19(10-8-12)22(2,20)21/h3-6,12,16H,7-11H2,1-2H3
InChIKeyHGELSQQUASZBQN-UHFFFAOYSA-N
XLogP1.09
TPSA67.23 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.43
LogP ≤ 51.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(1-methylbenzimidazol-2-yl)methyl]oxan-4-amine
CID 63001270
4-[(1-methylbenzimidazol-2-yl)methylamino]cyclohexane-1-carboxylic acid
CID 120509662
N-[(1-methylbenzimidazol-2-yl)methyl]-1-(2-methylprop-2-enyl)piperidin-4-amine
CID 119124241
N-[(1-methylbenzimidazol-2-yl)methyl]-4-propylcyclohexan-1-amine
CID 60665222
N-[(1-methylbenzimidazol-2-yl)methyl]methanesulfonamide
CID 110712040
2,2,3,3-tetramethyl-N-[(1-methylbenzimidazol-2-yl)methyl]cyclopropan-1-amine
CID 79351807
3-[(1-methylbenzimidazol-2-yl)methylamino]cyclohexan-1-ol
CID 63002126
2-[[(1-methylsulfonylpiperidin-4-yl)amino]methyl]phenol
CID 43628772
2-methyl-N-[(1-methylbenzimidazol-2-yl)methyl]-2-methylsulfonylpropan-1-amine
CID 79559017
trans-(1R,2R)-2-[(1-methylbenzimidazol-2-yl)methylamino]cyclohexan-1-ol
CID 98562090
N-[(1-methylbenzimidazol-2-yl)methyl]-1-pyridazin-3-ylpiperidin-3-amine
CID 56778130
N-[(5-bromo-1-methylbenzimidazol-2-yl)methyl]cyclopropanamine
CID 60836537

Frequently Asked Questions

What is the IUPAC name of N-[(1-methylbenzimidazol-2-yl)methyl]-1-methylsulfonylpiperidin-4-amine?
The IUPAC name of N-[(1-methylbenzimidazol-2-yl)methyl]-1-methylsulfonylpiperidin-4-amine (CID 154747523) is N-[(1-methylbenzimidazol-2-yl)methyl]-1-methylsulfonylpiperidin-4-amine.
What is the SMILES notation for N-[(1-methylbenzimidazol-2-yl)methyl]-1-methylsulfonylpiperidin-4-amine?
The canonical SMILES for N-[(1-methylbenzimidazol-2-yl)methyl]-1-methylsulfonylpiperidin-4-amine is Cn1c(CNC2CCN(S(C)(=O)=O)CC2)nc2ccccc21.
What is the InChIKey of N-[(1-methylbenzimidazol-2-yl)methyl]-1-methylsulfonylpiperidin-4-amine?
The InChIKey is HGELSQQUASZBQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N4O2S/c1-18-14-6-4-3-5-13(14)17-15(18)11-16-12-7-9-19(10-8-12)22(2,20)21/h3-6,12,16H,7-11H2,1-2H3.
What are the key properties of N-[(1-methylbenzimidazol-2-yl)methyl]-1-methylsulfonylpiperidin-4-amine?
N-[(1-methylbenzimidazol-2-yl)methyl]-1-methylsulfonylpiperidin-4-amine has a molecular weight of 322.43 g/mol, XLogP of 1.09, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-methylbenzimidazol-2-yl)methyl]-1-methylsulfonylpiperidin-4-amine is sourced from PubChem (CID 154747523), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).