N-[(1-methylbenzimidazol-2-yl)methyl]-1-(2-piperidin-1-ylsulfonylphenyl)methanamine

C21H26N4O2S — CID 119109932

IUPACN-[(1-methylbenzimidazol-2-yl)methyl]-1-(2-piperidin-1-ylsulfonylphenyl)methanamine
SMILESCn1c(CNCc2ccccc2S(=O)(=O)N2CCCCC2)nc2ccccc21
InChIInChI=1S/C21H26N4O2S/c1-24-19-11-5-4-10-18(19)23-21(24)16-22-15-17-9-3-6-12-20(17)28(26,27)25-13-7-2-8-14-25/h3-6,9-12,22H,2,7-8,13-16H2,1H3
InChIKeyLFWLUPQDOMQSJR-UHFFFAOYSA-N
MW398.53 g/mol
LogP3.04
Rot. Bonds6

About N-[(1-methylbenzimidazol-2-yl)methyl]-1-(2-piperidin-1-ylsulfonylphenyl)methanamine

N-[(1-methylbenzimidazol-2-yl)methyl]-1-(2-piperidin-1-ylsulfonylphenyl)methanamine (PubChem CID 119109932) has the molecular formula C21H26N4O2S and a molecular weight of 398.53 g/mol. Its IUPAC name is N-[(1-methylbenzimidazol-2-yl)methyl]-1-(2-piperidin-1-ylsulfonylphenyl)methanamine.

Molecular Properties

Compound NameN-[(1-methylbenzimidazol-2-yl)methyl]-1-(2-piperidin-1-ylsulfonylphenyl)methanamine
PubChem CID119109932
Molecular FormulaC21H26N4O2S
Molecular Weight398.53 g/mol
Exact Mass398.18
IUPAC NameN-[(1-methylbenzimidazol-2-yl)methyl]-1-(2-piperidin-1-ylsulfonylphenyl)methanamine
SMILESCn1c(CNCc2ccccc2S(=O)(=O)N2CCCCC2)nc2ccccc21
InChIInChI=1S/C21H26N4O2S/c1-24-19-11-5-4-10-18(19)23-21(24)16-22-15-17-9-3-6-12-20(17)28(26,27)25-13-7-2-8-14-25/h3-6,9-12,22H,2,7-8,13-16H2,1H3
InChIKeyLFWLUPQDOMQSJR-UHFFFAOYSA-N
XLogP3.04
TPSA67.23 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.53
LogP ≤ 53.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(5-methoxy-1,3-dimethylpyrazol-4-yl)methyl]-1-(2-piperidin-1-ylsulfonylphenyl)methanamine
CID 119110991
2-methyl-N-[(1-methylbenzimidazol-2-yl)methyl]-2-methylsulfonylpropan-1-amine
CID 79559017
6-methyl-N-[(2-piperidin-1-ylsulfonylphenyl)methyl]pyridin-2-amine
CID 133481721
N-[(1-methylbenzimidazol-2-yl)methyl]methanesulfonamide
CID 110712040
N-[3-(1-methylbenzimidazol-2-yl)propyl]pyrrolidine-1-sulfonamide
CID 122563972
N-[(1R)-1-(1-methylbenzimidazol-2-yl)ethyl]-2-piperidin-1-ylsulfonylbenzamide
CID 95772173
1-(benzenesulfonyl)-N-[(1-methylbenzimidazol-2-yl)methyl]-4-oxo-1,5-diazacycloundecane-8-carboxamide
CID 110199923
N-[(2-piperidin-1-ylsulfonylphenyl)methyl]cyclopentanamine
CID 75414784
2-fluoro-N-[(1-methylbenzimidazol-2-yl)methyl]benzenesulfonamide
CID 78809665
2-methyl-N-[2-[(1-methylbenzimidazol-2-yl)methylamino]ethyl]propanamide
CID 62997725
N-[(1-methylbenzimidazol-2-yl)methyl]-1-methylsulfonylpiperidin-4-amine
CID 154747523
N-[(1-ethylbenzimidazol-2-yl)methyl]-3-piperidin-1-ylsulfonylthiophene-2-carboxamide
CID 55465334

Frequently Asked Questions

What is the IUPAC name of N-[(1-methylbenzimidazol-2-yl)methyl]-1-(2-piperidin-1-ylsulfonylphenyl)methanamine?
The IUPAC name of N-[(1-methylbenzimidazol-2-yl)methyl]-1-(2-piperidin-1-ylsulfonylphenyl)methanamine (CID 119109932) is N-[(1-methylbenzimidazol-2-yl)methyl]-1-(2-piperidin-1-ylsulfonylphenyl)methanamine.
What is the SMILES notation for N-[(1-methylbenzimidazol-2-yl)methyl]-1-(2-piperidin-1-ylsulfonylphenyl)methanamine?
The canonical SMILES for N-[(1-methylbenzimidazol-2-yl)methyl]-1-(2-piperidin-1-ylsulfonylphenyl)methanamine is Cn1c(CNCc2ccccc2S(=O)(=O)N2CCCCC2)nc2ccccc21.
What is the InChIKey of N-[(1-methylbenzimidazol-2-yl)methyl]-1-(2-piperidin-1-ylsulfonylphenyl)methanamine?
The InChIKey is LFWLUPQDOMQSJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26N4O2S/c1-24-19-11-5-4-10-18(19)23-21(24)16-22-15-17-9-3-6-12-20(17)28(26,27)25-13-7-2-8-14-25/h3-6,9-12,22H,2,7-8,13-16H2,1H3.
What are the key properties of N-[(1-methylbenzimidazol-2-yl)methyl]-1-(2-piperidin-1-ylsulfonylphenyl)methanamine?
N-[(1-methylbenzimidazol-2-yl)methyl]-1-(2-piperidin-1-ylsulfonylphenyl)methanamine has a molecular weight of 398.53 g/mol, XLogP of 3.04, 6 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-(2-piperidin-1-ylsulfonylphenyl)methanamine is sourced from PubChem (CID 119109932), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).