4-[[5-(1H-benzimidazol-2-yl)-2-methoxyphenyl]methyl]thiomorpholine

C19H21N3OS — CID 168554741

IUPAC4-[[5-(1H-benzimidazol-2-yl)-2-methoxyphenyl]methyl]thiomorpholine
SMILESCOc1ccc(-c2nc3ccccc3[nH]2)cc1CN1CCSCC1
InChIInChI=1S/C19H21N3OS/c1-23-18-7-6-14(12-15(18)13-22-8-10-24-11-9-22)19-20-16-4-2-3-5-17(16)21-19/h2-7,12H,8-11,13H2,1H3,(H,20,21)
InChIKeyZGKSAACUGNQQDP-UHFFFAOYSA-N
MW339.46 g/mol
LogP3.79
Rot. Bonds4

About 4-[[5-(1H-benzimidazol-2-yl)-2-methoxyphenyl]methyl]thiomorpholine

4-[[5-(1H-benzimidazol-2-yl)-2-methoxyphenyl]methyl]thiomorpholine (PubChem CID 168554741) has the molecular formula C19H21N3OS and a molecular weight of 339.46 g/mol. Its IUPAC name is 4-[[5-(1H-benzimidazol-2-yl)-2-methoxyphenyl]methyl]thiomorpholine.

Molecular Properties

Compound Name4-[[5-(1H-benzimidazol-2-yl)-2-methoxyphenyl]methyl]thiomorpholine
PubChem CID168554741
Molecular FormulaC19H21N3OS
Molecular Weight339.46 g/mol
Exact Mass339.14
IUPAC Name4-[[5-(1H-benzimidazol-2-yl)-2-methoxyphenyl]methyl]thiomorpholine
SMILESCOc1ccc(-c2nc3ccccc3[nH]2)cc1CN1CCSCC1
InChIInChI=1S/C19H21N3OS/c1-23-18-7-6-14(12-15(18)13-22-8-10-24-11-9-22)19-20-16-4-2-3-5-17(16)21-19/h2-7,12H,8-11,13H2,1H3,(H,20,21)
InChIKeyZGKSAACUGNQQDP-UHFFFAOYSA-N
XLogP3.79
TPSA41.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.46
LogP ≤ 53.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[4-methoxy-3-[(4-methylpiperidin-1-yl)methyl]phenyl]-1H-benzimidazole
CID 168554818
4-[[2-(1H-benzimidazol-2-yl)phenyl]methyl]thiomorpholine
CID 168553666
2-[4-methoxy-3-[(4-methoxyphenoxy)methyl]phenyl]-1H-benzimidazole
CID 168554144
2-[3-[(2-bromophenoxy)methyl]-4-methoxyphenyl]-1H-benzimidazole
CID 168554164
2-[3-[(3,5-dimethylphenoxy)methyl]-4-methoxyphenyl]-1H-benzimidazole
CID 168555101
2-[3-[(4-chloro-2-methylphenoxy)methyl]-4-methoxyphenyl]-1H-benzimidazole
CID 168554121
4-[[5-(1H-benzimidazol-2-yl)-2-methoxyphenyl]methyl]-3,5-dimethyl-1,2-oxazole
CID 168554839
2-(4-methoxy-3-propoxyphenyl)-1H-benzimidazole
CID 110539403
2-[3-(cyclopropylmethoxy)-4-methoxyphenyl]-1H-benzimidazole
CID 168553533
2-[3-fluoro-4-[(4-methylpiperidin-1-yl)methyl]phenyl]-1H-benzimidazole
CID 168553765
7-[[5-(1H-benzimidazol-2-yl)-2-methoxyphenyl]methoxy]quinoline
CID 168554862
4-[(5-bromo-2-methoxyphenyl)methyl]thiomorpholine
CID 763011

Frequently Asked Questions

What is the IUPAC name of 4-[[5-(1H-benzimidazol-2-yl)-2-methoxyphenyl]methyl]thiomorpholine?
The IUPAC name of 4-[[5-(1H-benzimidazol-2-yl)-2-methoxyphenyl]methyl]thiomorpholine (CID 168554741) is 4-[[5-(1H-benzimidazol-2-yl)-2-methoxyphenyl]methyl]thiomorpholine.
What is the SMILES notation for 4-[[5-(1H-benzimidazol-2-yl)-2-methoxyphenyl]methyl]thiomorpholine?
The canonical SMILES for 4-[[5-(1H-benzimidazol-2-yl)-2-methoxyphenyl]methyl]thiomorpholine is COc1ccc(-c2nc3ccccc3[nH]2)cc1CN1CCSCC1.
What is the InChIKey of 4-[[5-(1H-benzimidazol-2-yl)-2-methoxyphenyl]methyl]thiomorpholine?
The InChIKey is ZGKSAACUGNQQDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N3OS/c1-23-18-7-6-14(12-15(18)13-22-8-10-24-11-9-22)19-20-16-4-2-3-5-17(16)21-19/h2-7,12H,8-11,13H2,1H3,(H,20,21).
What are the key properties of 4-[[5-(1H-benzimidazol-2-yl)-2-methoxyphenyl]methyl]thiomorpholine?
4-[[5-(1H-benzimidazol-2-yl)-2-methoxyphenyl]methyl]thiomorpholine has a molecular weight of 339.46 g/mol, XLogP of 3.79, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[5-(1H-benzimidazol-2-yl)-2-methoxyphenyl]methyl]thiomorpholine is sourced from PubChem (CID 168554741), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).