N-[(1R)-1-[1-[3-(2-methoxyphenyl)phenyl]benzimidazol-5-yl]ethyl]acetamide

C24H23N3O2 — CID 67096012

IUPACN-[(1R)-1-[1-[3-(2-methoxyphenyl)phenyl]benzimidazol-5-yl]ethyl]acetamide
SMILESCOc1ccccc1-c1cccc(-n2cnc3cc([C@@H](C)NC(C)=O)ccc32)c1
InChIInChI=1S/C24H23N3O2/c1-16(26-17(2)28)18-11-12-23-22(14-18)25-15-27(23)20-8-6-7-19(13-20)21-9-4-5-10-24(21)29-3/h4-16H,1-3H3,(H,26,28)/t16-/m1/s1
InChIKeySUONAIKREXBHLR-MRXNPFEDSA-N
MW385.47 g/mol
LogP4.90
Rot. Bonds5

About N-[(1R)-1-[1-[3-(2-methoxyphenyl)phenyl]benzimidazol-5-yl]ethyl]acetamide

N-[(1R)-1-[1-[3-(2-methoxyphenyl)phenyl]benzimidazol-5-yl]ethyl]acetamide (PubChem CID 67096012) has the molecular formula C24H23N3O2 and a molecular weight of 385.47 g/mol. Its IUPAC name is N-[(1R)-1-[1-[3-(2-methoxyphenyl)phenyl]benzimidazol-5-yl]ethyl]acetamide.

Molecular Properties

Compound NameN-[(1R)-1-[1-[3-(2-methoxyphenyl)phenyl]benzimidazol-5-yl]ethyl]acetamide
PubChem CID67096012
Molecular FormulaC24H23N3O2
Molecular Weight385.47 g/mol
Exact Mass385.18
IUPAC NameN-[(1R)-1-[1-[3-(2-methoxyphenyl)phenyl]benzimidazol-5-yl]ethyl]acetamide
SMILESCOc1ccccc1-c1cccc(-n2cnc3cc([C@@H](C)NC(C)=O)ccc32)c1
InChIInChI=1S/C24H23N3O2/c1-16(26-17(2)28)18-11-12-23-22(14-18)25-15-27(23)20-8-6-7-19(13-20)21-9-4-5-10-24(21)29-3/h4-16H,1-3H3,(H,26,28)/t16-/m1/s1
InChIKeySUONAIKREXBHLR-MRXNPFEDSA-N
XLogP4.90
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.47
LogP ≤ 54.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[(1R)-1-[1-[3-(2-methoxyphenyl)phenyl]benzimidazol-5-yl]ethyl]acetamide?
The IUPAC name of N-[(1R)-1-[1-[3-(2-methoxyphenyl)phenyl]benzimidazol-5-yl]ethyl]acetamide (CID 67096012) is N-[(1R)-1-[1-[3-(2-methoxyphenyl)phenyl]benzimidazol-5-yl]ethyl]acetamide.
What is the SMILES notation for N-[(1R)-1-[1-[3-(2-methoxyphenyl)phenyl]benzimidazol-5-yl]ethyl]acetamide?
The canonical SMILES for N-[(1R)-1-[1-[3-(2-methoxyphenyl)phenyl]benzimidazol-5-yl]ethyl]acetamide is COc1ccccc1-c1cccc(-n2cnc3cc([C@@H](C)NC(C)=O)ccc32)c1.
What is the InChIKey of N-[(1R)-1-[1-[3-(2-methoxyphenyl)phenyl]benzimidazol-5-yl]ethyl]acetamide?
The InChIKey is SUONAIKREXBHLR-MRXNPFEDSA-N. The full InChI is InChI=1S/C24H23N3O2/c1-16(26-17(2)28)18-11-12-23-22(14-18)25-15-27(23)20-8-6-7-19(13-20)21-9-4-5-10-24(21)29-3/h4-16H,1-3H3,(H,26,28)/t16-/m1/s1.
What are the key properties of N-[(1R)-1-[1-[3-(2-methoxyphenyl)phenyl]benzimidazol-5-yl]ethyl]acetamide?
N-[(1R)-1-[1-[3-(2-methoxyphenyl)phenyl]benzimidazol-5-yl]ethyl]acetamide has a molecular weight of 385.47 g/mol, XLogP of 4.90, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R)-1-[1-[3-(2-methoxyphenyl)phenyl]benzimidazol-5-yl]ethyl]acetamide is sourced from PubChem (CID 67096012), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).