N-[(1R)-1-[1-(3-phenylphenyl)benzimidazol-5-yl]ethyl]acetamide

C23H21N3O — CID 67096068

IUPACN-[(1R)-1-[1-(3-phenylphenyl)benzimidazol-5-yl]ethyl]acetamide
SMILESCC(=O)N[C@H](C)c1ccc2c(c1)ncn2-c1cccc(-c2ccccc2)c1
InChIInChI=1S/C23H21N3O/c1-16(25-17(2)27)19-11-12-23-22(14-19)24-15-26(23)21-10-6-9-20(13-21)18-7-4-3-5-8-18/h3-16H,1-2H3,(H,25,27)/t16-/m1/s1
InChIKeyAGKXNDOYPQMADM-MRXNPFEDSA-N
MW355.44 g/mol
LogP4.89
Rot. Bonds4

About N-[(1R)-1-[1-(3-phenylphenyl)benzimidazol-5-yl]ethyl]acetamide

N-[(1R)-1-[1-(3-phenylphenyl)benzimidazol-5-yl]ethyl]acetamide (PubChem CID 67096068) has the molecular formula C23H21N3O and a molecular weight of 355.44 g/mol. Its IUPAC name is N-[(1R)-1-[1-(3-phenylphenyl)benzimidazol-5-yl]ethyl]acetamide.

Molecular Properties

Compound NameN-[(1R)-1-[1-(3-phenylphenyl)benzimidazol-5-yl]ethyl]acetamide
PubChem CID67096068
Molecular FormulaC23H21N3O
Molecular Weight355.44 g/mol
Exact Mass355.17
IUPAC NameN-[(1R)-1-[1-(3-phenylphenyl)benzimidazol-5-yl]ethyl]acetamide
SMILESCC(=O)N[C@H](C)c1ccc2c(c1)ncn2-c1cccc(-c2ccccc2)c1
InChIInChI=1S/C23H21N3O/c1-16(25-17(2)27)19-11-12-23-22(14-19)24-15-26(23)21-10-6-9-20(13-21)18-7-4-3-5-8-18/h3-16H,1-2H3,(H,25,27)/t16-/m1/s1
InChIKeyAGKXNDOYPQMADM-MRXNPFEDSA-N
XLogP4.89
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.44
LogP ≤ 54.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(1R)-1-[1-[3-(2-methoxyphenyl)phenyl]benzimidazol-5-yl]ethyl]acetamide
CID 67096012
1-[1-(3-phenylphenyl)benzimidazol-5-yl]ethanamine
CID 16660556
N-benzyl-1-[1-(3-pyridin-3-ylphenyl)benzimidazol-5-yl]ethanamine
CID 11983428
N-methoxy-1-[1-(3-pyridin-3-ylphenyl)benzimidazol-5-yl]ethanamine
CID 11983443
(1S)-1-[1-[3-(2-methoxyphenyl)phenyl]benzimidazol-5-yl]ethanamine;(1S)-1-[1-(3-phenylphenyl)benzimidazol-5-yl]ethanamine
CID 157206160
5-propan-2-yl-1-(3-pyridin-3-ylphenyl)benzimidazole
CID 19425997
[2-[3-[5-[(1R)-1-aminoethyl]benzimidazol-1-yl]phenyl]phenyl] carbamate
CID 69023101
(1R)-1-[1-[3-(2-methoxyphenyl)phenyl]benzimidazol-5-yl]ethanol
CID 67152123
N-[(1S)-1-[1-[3-(2,4-dimethoxypyrimidin-5-yl)phenyl]benzimidazol-5-yl]ethyl]formamide
CID 87571267
1-[1-(3-bromophenyl)benzimidazol-5-yl]-1-deuterioethanol
CID 58349877
ethane;1-(3-ethylphenyl)-5-propan-2-ylbenzimidazole
CID 143307448
(1R)-1-[1-[3-(2-morpholin-4-ylpyrimidin-5-yl)phenyl]benzimidazol-5-yl]ethanol
CID 67152175

Frequently Asked Questions

What is the IUPAC name of N-[(1R)-1-[1-(3-phenylphenyl)benzimidazol-5-yl]ethyl]acetamide?
The IUPAC name of N-[(1R)-1-[1-(3-phenylphenyl)benzimidazol-5-yl]ethyl]acetamide (CID 67096068) is N-[(1R)-1-[1-(3-phenylphenyl)benzimidazol-5-yl]ethyl]acetamide.
What is the SMILES notation for N-[(1R)-1-[1-(3-phenylphenyl)benzimidazol-5-yl]ethyl]acetamide?
The canonical SMILES for N-[(1R)-1-[1-(3-phenylphenyl)benzimidazol-5-yl]ethyl]acetamide is CC(=O)N[C@H](C)c1ccc2c(c1)ncn2-c1cccc(-c2ccccc2)c1.
What is the InChIKey of N-[(1R)-1-[1-(3-phenylphenyl)benzimidazol-5-yl]ethyl]acetamide?
The InChIKey is AGKXNDOYPQMADM-MRXNPFEDSA-N. The full InChI is InChI=1S/C23H21N3O/c1-16(25-17(2)27)19-11-12-23-22(14-19)24-15-26(23)21-10-6-9-20(13-21)18-7-4-3-5-8-18/h3-16H,1-2H3,(H,25,27)/t16-/m1/s1.
What are the key properties of N-[(1R)-1-[1-(3-phenylphenyl)benzimidazol-5-yl]ethyl]acetamide?
N-[(1R)-1-[1-(3-phenylphenyl)benzimidazol-5-yl]ethyl]acetamide has a molecular weight of 355.44 g/mol, XLogP of 4.89, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R)-1-[1-(3-phenylphenyl)benzimidazol-5-yl]ethyl]acetamide is sourced from PubChem (CID 67096068), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).