N-[[3-[5-(1H-benzimidazol-2-yl)thiophen-3-yl]phenyl]methyl]-1-(4-methoxyphenyl)methanamine

C26H23N3OS — CID 44524556

IUPACN-[[3-[5-(1H-benzimidazol-2-yl)thiophen-3-yl]phenyl]methyl]-1-(4-methoxyphenyl)methanamine
SMILESCOc1ccc(CNCc2cccc(-c3csc(-c4nc5ccccc5[nH]4)c3)c2)cc1
InChIInChI=1S/C26H23N3OS/c1-30-22-11-9-18(10-12-22)15-27-16-19-5-4-6-20(13-19)21-14-25(31-17-21)26-28-23-7-2-3-8-24(23)29-26/h2-14,17,27H,15-16H2,1H3,(H,28,29)
InChIKeyZLNKPBRZJMOHCW-UHFFFAOYSA-N
MW425.56 g/mol
LogP6.26
Rot. Bonds7

About N-[[3-[5-(1H-benzimidazol-2-yl)thiophen-3-yl]phenyl]methyl]-1-(4-methoxyphenyl)methanamine

N-[[3-[5-(1H-benzimidazol-2-yl)thiophen-3-yl]phenyl]methyl]-1-(4-methoxyphenyl)methanamine (PubChem CID 44524556) has the molecular formula C26H23N3OS and a molecular weight of 425.56 g/mol. Its IUPAC name is N-[[3-[5-(1H-benzimidazol-2-yl)thiophen-3-yl]phenyl]methyl]-1-(4-methoxyphenyl)methanamine.

Molecular Properties

Compound NameN-[[3-[5-(1H-benzimidazol-2-yl)thiophen-3-yl]phenyl]methyl]-1-(4-methoxyphenyl)methanamine
PubChem CID44524556
Molecular FormulaC26H23N3OS
Molecular Weight425.56 g/mol
Exact Mass425.16
IUPAC NameN-[[3-[5-(1H-benzimidazol-2-yl)thiophen-3-yl]phenyl]methyl]-1-(4-methoxyphenyl)methanamine
SMILESCOc1ccc(CNCc2cccc(-c3csc(-c4nc5ccccc5[nH]4)c3)c2)cc1
InChIInChI=1S/C26H23N3OS/c1-30-22-11-9-18(10-12-22)15-27-16-19-5-4-6-20(13-19)21-14-25(31-17-21)26-28-23-7-2-3-8-24(23)29-26/h2-14,17,27H,15-16H2,1H3,(H,28,29)
InChIKeyZLNKPBRZJMOHCW-UHFFFAOYSA-N
XLogP6.26
TPSA49.94 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500425.56
LogP ≤ 56.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[3-[[3-[5-(1H-benzimidazol-2-yl)thiophen-3-yl]phenyl]methylamino]propyl]methanesulfonamide
CID 44525220
1-[4-[5-(1H-benzimidazol-2-yl)thiophen-2-yl]phenyl]-N-[[3-(3,5-dimethyl-1,2-oxazol-4-yl)phenyl]methyl]methanamine
CID 44525147
N-[[4-[3-(1H-benzimidazol-2-yl)phenyl]phenyl]methyl]ethanamine
CID 44524235
1-[4-[3-(1H-benzimidazol-2-yl)phenyl]phenyl]-N-[[4-(thiadiazol-4-yl)phenyl]methyl]methanamine
CID 44524187
[4-[[[3-[4-(1H-benzimidazol-2-yl)phenyl]phenyl]methylamino]methyl]phenyl]methanamine;2,2,2-trifluoroacetic acid
CID 44524695
2-(6-methoxynaphthalen-2-yl)-1H-benzimidazole
CID 56925290
1-[[3-[5-(1H-benzimidazol-2-yl)thiophen-3-yl]phenyl]methyl]pyrrolidin-3-amine;2,2,2-trifluoroacetic acid
CID 44526382
N-[(4-methoxyphenyl)methyl]-1-[4-[4-[6-(trifluoromethyl)-1H-benzimidazol-2-yl]phenyl]phenyl]methanamine
CID 44524536
N-[(6-methoxynaphthalen-2-yl)methyl]-1-phenylmethanamine
CID 18505307
4-(1H-benzimidazol-2-yl)-N-(4-methoxyphenyl)-N-methylaniline
CID 168555273
1-phenyl-N-[[3-[4-[6-(trifluoromethyl)-1H-benzimidazol-2-yl]phenyl]phenyl]methyl]methanamine
CID 44524496
2-(3-ethoxyphenyl)-1H-benzimidazole
CID 19224120

Frequently Asked Questions

What is the IUPAC name of N-[[3-[5-(1H-benzimidazol-2-yl)thiophen-3-yl]phenyl]methyl]-1-(4-methoxyphenyl)methanamine?
The IUPAC name of N-[[3-[5-(1H-benzimidazol-2-yl)thiophen-3-yl]phenyl]methyl]-1-(4-methoxyphenyl)methanamine (CID 44524556) is N-[[3-[5-(1H-benzimidazol-2-yl)thiophen-3-yl]phenyl]methyl]-1-(4-methoxyphenyl)methanamine.
What is the SMILES notation for N-[[3-[5-(1H-benzimidazol-2-yl)thiophen-3-yl]phenyl]methyl]-1-(4-methoxyphenyl)methanamine?
The canonical SMILES for N-[[3-[5-(1H-benzimidazol-2-yl)thiophen-3-yl]phenyl]methyl]-1-(4-methoxyphenyl)methanamine is COc1ccc(CNCc2cccc(-c3csc(-c4nc5ccccc5[nH]4)c3)c2)cc1.
What is the InChIKey of N-[[3-[5-(1H-benzimidazol-2-yl)thiophen-3-yl]phenyl]methyl]-1-(4-methoxyphenyl)methanamine?
The InChIKey is ZLNKPBRZJMOHCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H23N3OS/c1-30-22-11-9-18(10-12-22)15-27-16-19-5-4-6-20(13-19)21-14-25(31-17-21)26-28-23-7-2-3-8-24(23)29-26/h2-14,17,27H,15-16H2,1H3,(H,28,29).
What are the key properties of N-[[3-[5-(1H-benzimidazol-2-yl)thiophen-3-yl]phenyl]methyl]-1-(4-methoxyphenyl)methanamine?
N-[[3-[5-(1H-benzimidazol-2-yl)thiophen-3-yl]phenyl]methyl]-1-(4-methoxyphenyl)methanamine has a molecular weight of 425.56 g/mol, XLogP of 6.26, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-[5-(1H-benzimidazol-2-yl)thiophen-3-yl]phenyl]methyl]-1-(4-methoxyphenyl)methanamine is sourced from PubChem (CID 44524556), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).