2-[1-[(2R)-2-methoxy-2-thiophen-2-ylethyl]imidazol-2-yl]-1H-benzimidazole

C17H16N4OS — CID 95555080

IUPAC2-[1-[(2R)-2-methoxy-2-thiophen-2-ylethyl]imidazol-2-yl]-1H-benzimidazole
SMILESCO[C@H](Cn1ccnc1-c1nc2ccccc2[nH]1)c1cccs1
InChIInChI=1S/C17H16N4OS/c1-22-14(15-7-4-10-23-15)11-21-9-8-18-17(21)16-19-12-5-2-3-6-13(12)20-16/h2-10,14H,11H2,1H3,(H,19,20)/t14-/m1/s1
InChIKeyIKJOMJSKLWRMQY-CQSZACIVSA-N
MW324.41 g/mol
LogP3.88
Rot. Bonds5

About 2-[1-[(2R)-2-methoxy-2-thiophen-2-ylethyl]imidazol-2-yl]-1H-benzimidazole

2-[1-[(2R)-2-methoxy-2-thiophen-2-ylethyl]imidazol-2-yl]-1H-benzimidazole (PubChem CID 95555080) has the molecular formula C17H16N4OS and a molecular weight of 324.41 g/mol. Its IUPAC name is 2-[1-[(2R)-2-methoxy-2-thiophen-2-ylethyl]imidazol-2-yl]-1H-benzimidazole.

Molecular Properties

Compound Name2-[1-[(2R)-2-methoxy-2-thiophen-2-ylethyl]imidazol-2-yl]-1H-benzimidazole
PubChem CID95555080
Molecular FormulaC17H16N4OS
Molecular Weight324.41 g/mol
Exact Mass324.10
IUPAC Name2-[1-[(2R)-2-methoxy-2-thiophen-2-ylethyl]imidazol-2-yl]-1H-benzimidazole
SMILESCO[C@H](Cn1ccnc1-c1nc2ccccc2[nH]1)c1cccs1
InChIInChI=1S/C17H16N4OS/c1-22-14(15-7-4-10-23-15)11-21-9-8-18-17(21)16-19-12-5-2-3-6-13(12)20-16/h2-10,14H,11H2,1H3,(H,19,20)/t14-/m1/s1
InChIKeyIKJOMJSKLWRMQY-CQSZACIVSA-N
XLogP3.88
TPSA55.73 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.41
LogP ≤ 53.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

[5-[1-(2-methoxy-2-thiophen-2-ylethyl)imidazol-2-yl]furan-2-yl]methanol
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2-[1-[2-[(2S)-1-methylpyrrolidin-2-yl]ethyl]imidazol-2-yl]-1H-benzimidazole
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2-[1-[2-(1H-benzimidazol-2-yl)ethyl]imidazol-2-yl]quinoline
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N-[1-(1H-benzimidazol-2-yl)ethyl]-1-thiophen-2-ylpropan-1-amine
CID 62673016
methyl 2-[[3-(1H-benzimidazol-2-yl)-2-pyridinyl]sulfanyl]acetate
CID 645213

Frequently Asked Questions

What is the IUPAC name of 2-[1-[(2R)-2-methoxy-2-thiophen-2-ylethyl]imidazol-2-yl]-1H-benzimidazole?
The IUPAC name of 2-[1-[(2R)-2-methoxy-2-thiophen-2-ylethyl]imidazol-2-yl]-1H-benzimidazole (CID 95555080) is 2-[1-[(2R)-2-methoxy-2-thiophen-2-ylethyl]imidazol-2-yl]-1H-benzimidazole.
What is the SMILES notation for 2-[1-[(2R)-2-methoxy-2-thiophen-2-ylethyl]imidazol-2-yl]-1H-benzimidazole?
The canonical SMILES for 2-[1-[(2R)-2-methoxy-2-thiophen-2-ylethyl]imidazol-2-yl]-1H-benzimidazole is CO[C@H](Cn1ccnc1-c1nc2ccccc2[nH]1)c1cccs1.
What is the InChIKey of 2-[1-[(2R)-2-methoxy-2-thiophen-2-ylethyl]imidazol-2-yl]-1H-benzimidazole?
The InChIKey is IKJOMJSKLWRMQY-CQSZACIVSA-N. The full InChI is InChI=1S/C17H16N4OS/c1-22-14(15-7-4-10-23-15)11-21-9-8-18-17(21)16-19-12-5-2-3-6-13(12)20-16/h2-10,14H,11H2,1H3,(H,19,20)/t14-/m1/s1.
What are the key properties of 2-[1-[(2R)-2-methoxy-2-thiophen-2-ylethyl]imidazol-2-yl]-1H-benzimidazole?
2-[1-[(2R)-2-methoxy-2-thiophen-2-ylethyl]imidazol-2-yl]-1H-benzimidazole has a molecular weight of 324.41 g/mol, XLogP of 3.88, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[(2R)-2-methoxy-2-thiophen-2-ylethyl]imidazol-2-yl]-1H-benzimidazole is sourced from PubChem (CID 95555080), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).