N-[(6-methoxy-1H-benzimidazol-2-yl)methylsulfamoyl]-1-phenylmethanamine

C16H18N4O3S — CID 56860984

IUPACN-[(6-methoxy-1H-benzimidazol-2-yl)methylsulfamoyl]-1-phenylmethanamine
SMILESCOc1ccc2nc(CNS(=O)(=O)NCc3ccccc3)[nH]c2c1
InChIInChI=1S/C16H18N4O3S/c1-23-13-7-8-14-15(9-13)20-16(19-14)11-18-24(21,22)17-10-12-5-3-2-4-6-12/h2-9,17-18H,10-11H2,1H3,(H,19,20)
InChIKeyKVSUDXHJZFSJMI-UHFFFAOYSA-N
MW346.41 g/mol
LogP1.70
Rot. Bonds7

About N-[(6-methoxy-1H-benzimidazol-2-yl)methylsulfamoyl]-1-phenylmethanamine

N-[(6-methoxy-1H-benzimidazol-2-yl)methylsulfamoyl]-1-phenylmethanamine (PubChem CID 56860984) has the molecular formula C16H18N4O3S and a molecular weight of 346.41 g/mol. Its IUPAC name is N-[(6-methoxy-1H-benzimidazol-2-yl)methylsulfamoyl]-1-phenylmethanamine.

Molecular Properties

Compound NameN-[(6-methoxy-1H-benzimidazol-2-yl)methylsulfamoyl]-1-phenylmethanamine
PubChem CID56860984
Molecular FormulaC16H18N4O3S
Molecular Weight346.41 g/mol
Exact Mass346.11
IUPAC NameN-[(6-methoxy-1H-benzimidazol-2-yl)methylsulfamoyl]-1-phenylmethanamine
SMILESCOc1ccc2nc(CNS(=O)(=O)NCc3ccccc3)[nH]c2c1
InChIInChI=1S/C16H18N4O3S/c1-23-13-7-8-14-15(9-13)20-16(19-14)11-18-24(21,22)17-10-12-5-3-2-4-6-12/h2-9,17-18H,10-11H2,1H3,(H,19,20)
InChIKeyKVSUDXHJZFSJMI-UHFFFAOYSA-N
XLogP1.70
TPSA96.11 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.41
LogP ≤ 51.70
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(4-methoxyphenyl)methylsulfamoyl]-1-phenylmethanamine
CID 1475423
6-methoxy-2-[(3-methoxyphenyl)methyl]-1H-benzimidazole
CID 65017876
2-[(4-benzylpiperidin-1-yl)methyl]-6-methoxy-1H-benzimidazole
CID 11325148
N-[(6-methoxy-1H-benzimidazol-2-yl)methyl]-1-naphthalen-1-ylmethanamine
CID 134084471
(2S)-N-benzyl-2-[(6-methoxy-1H-benzimidazol-2-yl)sulfanyl]propanamide
CID 7152425
2-(6-methoxy-1H-benzimidazol-2-yl)-N-methylethanamine;hydrochloride
CID 72942363
2-(6-methoxy-1H-benzimidazol-2-yl)-N-(pyridin-3-ylmethyl)ethanamine
CID 82337004
2-[(6-methoxy-1H-benzimidazol-2-yl)sulfanyl]-2-phenyl-N-[(4-sulfamoylphenyl)methyl]acetamide
CID 132953917
N-benzyl-4-methoxybenzenesulfonamide
CID 741351
2-[4-[[(6-methoxy-1H-benzimidazol-2-yl)methylamino]methyl]phenyl]-3-phenyl-6H-1,6-naphthyridin-5-one
CID 91347562
2-hexyl-6-methoxy-1H-benzimidazole
CID 114753150
N-[2-(6-methoxy-1H-benzimidazol-2-yl)ethyl]-2-methylpropan-2-amine
CID 65017857

Frequently Asked Questions

What is the IUPAC name of N-[(6-methoxy-1H-benzimidazol-2-yl)methylsulfamoyl]-1-phenylmethanamine?
The IUPAC name of N-[(6-methoxy-1H-benzimidazol-2-yl)methylsulfamoyl]-1-phenylmethanamine (CID 56860984) is N-[(6-methoxy-1H-benzimidazol-2-yl)methylsulfamoyl]-1-phenylmethanamine.
What is the SMILES notation for N-[(6-methoxy-1H-benzimidazol-2-yl)methylsulfamoyl]-1-phenylmethanamine?
The canonical SMILES for N-[(6-methoxy-1H-benzimidazol-2-yl)methylsulfamoyl]-1-phenylmethanamine is COc1ccc2nc(CNS(=O)(=O)NCc3ccccc3)[nH]c2c1.
What is the InChIKey of N-[(6-methoxy-1H-benzimidazol-2-yl)methylsulfamoyl]-1-phenylmethanamine?
The InChIKey is KVSUDXHJZFSJMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N4O3S/c1-23-13-7-8-14-15(9-13)20-16(19-14)11-18-24(21,22)17-10-12-5-3-2-4-6-12/h2-9,17-18H,10-11H2,1H3,(H,19,20).
What are the key properties of N-[(6-methoxy-1H-benzimidazol-2-yl)methylsulfamoyl]-1-phenylmethanamine?
N-[(6-methoxy-1H-benzimidazol-2-yl)methylsulfamoyl]-1-phenylmethanamine has a molecular weight of 346.41 g/mol, XLogP of 1.70, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(6-methoxy-1H-benzimidazol-2-yl)methylsulfamoyl]-1-phenylmethanamine is sourced from PubChem (CID 56860984), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).