2-(4-ethoxyphenyl)-N-[(1R)-1-(1-methylbenzimidazol-2-yl)ethyl]acetamide

C20H23N3O2 — CID 95772905

IUPAC2-(4-ethoxyphenyl)-N-[(1R)-1-(1-methylbenzimidazol-2-yl)ethyl]acetamide
SMILESCCOc1ccc(CC(=O)N[C@H](C)c2nc3ccccc3n2C)cc1
InChIInChI=1S/C20H23N3O2/c1-4-25-16-11-9-15(10-12-16)13-19(24)21-14(2)20-22-17-7-5-6-8-18(17)23(20)3/h5-12,14H,4,13H2,1-3H3,(H,21,24)/t14-/m1/s1
InChIKeyDSCPXTCVSJULAX-CQSZACIVSA-N
MW337.42 g/mol
LogP3.39
Rot. Bonds6

About 2-(4-ethoxyphenyl)-N-[(1R)-1-(1-methylbenzimidazol-2-yl)ethyl]acetamide

2-(4-ethoxyphenyl)-N-[(1R)-1-(1-methylbenzimidazol-2-yl)ethyl]acetamide (PubChem CID 95772905) has the molecular formula C20H23N3O2 and a molecular weight of 337.42 g/mol. Its IUPAC name is 2-(4-ethoxyphenyl)-N-[(1R)-1-(1-methylbenzimidazol-2-yl)ethyl]acetamide.

Molecular Properties

Compound Name2-(4-ethoxyphenyl)-N-[(1R)-1-(1-methylbenzimidazol-2-yl)ethyl]acetamide
PubChem CID95772905
Molecular FormulaC20H23N3O2
Molecular Weight337.42 g/mol
Exact Mass337.18
IUPAC Name2-(4-ethoxyphenyl)-N-[(1R)-1-(1-methylbenzimidazol-2-yl)ethyl]acetamide
SMILESCCOc1ccc(CC(=O)N[C@H](C)c2nc3ccccc3n2C)cc1
InChIInChI=1S/C20H23N3O2/c1-4-25-16-11-9-15(10-12-16)13-19(24)21-14(2)20-22-17-7-5-6-8-18(17)23(20)3/h5-12,14H,4,13H2,1-3H3,(H,21,24)/t14-/m1/s1
InChIKeyDSCPXTCVSJULAX-CQSZACIVSA-N
XLogP3.39
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.42
LogP ≤ 53.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(1S)-1-(1-methylbenzimidazol-2-yl)ethyl]-2-phenylacetamide
CID 751118
N-[1-(1-methylbenzimidazol-2-yl)ethyl]-2-phenylacetamide
CID 4082682
N-[(1S)-1-(1-methylbenzimidazol-2-yl)ethyl]propanamide
CID 751102
2-(4-methoxyphenyl)-N-[1-(1-propylbenzimidazol-2-yl)ethyl]acetamide
CID 16972665
2-methoxy-N-[(1R)-1-(1-methylbenzimidazol-2-yl)ethyl]acetamide
CID 751110
N-[1-(1-butylbenzimidazol-2-yl)ethyl]-2-(4-methoxyphenyl)acetamide
CID 16972671
2-(4-methoxyphenyl)-N-[1-(1-octadecylbenzimidazol-2-yl)ethyl]acetamide
CID 16972683
(R)-(4-ethoxyphenyl)-(1-methylbenzimidazol-2-yl)methanol
CID 797343
(S)-(4-ethoxyphenyl)-(1-methylbenzimidazol-2-yl)methanol
CID 797340
N-[(1R)-1-(1H-benzimidazol-2-yl)ethyl]-2-(4-ethoxyphenyl)acetamide
CID 25345580
N-[(1S)-1-(1H-benzimidazol-2-yl)ethyl]-2-(4-ethoxyphenyl)acetamide
CID 18116312
2-(4-chlorophenyl)-N-[1-[1-[4-(4-methoxyphenoxy)butyl]benzimidazol-2-yl]ethyl]acetamide
CID 16973111

Frequently Asked Questions

What is the IUPAC name of 2-(4-ethoxyphenyl)-N-[(1R)-1-(1-methylbenzimidazol-2-yl)ethyl]acetamide?
The IUPAC name of 2-(4-ethoxyphenyl)-N-[(1R)-1-(1-methylbenzimidazol-2-yl)ethyl]acetamide (CID 95772905) is 2-(4-ethoxyphenyl)-N-[(1R)-1-(1-methylbenzimidazol-2-yl)ethyl]acetamide.
What is the SMILES notation for 2-(4-ethoxyphenyl)-N-[(1R)-1-(1-methylbenzimidazol-2-yl)ethyl]acetamide?
The canonical SMILES for 2-(4-ethoxyphenyl)-N-[(1R)-1-(1-methylbenzimidazol-2-yl)ethyl]acetamide is CCOc1ccc(CC(=O)N[C@H](C)c2nc3ccccc3n2C)cc1.
What is the InChIKey of 2-(4-ethoxyphenyl)-N-[(1R)-1-(1-methylbenzimidazol-2-yl)ethyl]acetamide?
The InChIKey is DSCPXTCVSJULAX-CQSZACIVSA-N. The full InChI is InChI=1S/C20H23N3O2/c1-4-25-16-11-9-15(10-12-16)13-19(24)21-14(2)20-22-17-7-5-6-8-18(17)23(20)3/h5-12,14H,4,13H2,1-3H3,(H,21,24)/t14-/m1/s1.
What are the key properties of 2-(4-ethoxyphenyl)-N-[(1R)-1-(1-methylbenzimidazol-2-yl)ethyl]acetamide?
2-(4-ethoxyphenyl)-N-[(1R)-1-(1-methylbenzimidazol-2-yl)ethyl]acetamide has a molecular weight of 337.42 g/mol, XLogP of 3.39, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-ethoxyphenyl)-N-[(1R)-1-(1-methylbenzimidazol-2-yl)ethyl]acetamide is sourced from PubChem (CID 95772905), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).