N-[(1R,2S)-1-(1H-benzimidazol-2-yl)-2-methylbutyl]-2-(4-methoxyphenyl)acetamide

C21H25N3O2 — CID 124873697

IUPACN-[(1R,2S)-1-(1H-benzimidazol-2-yl)-2-methylbutyl]-2-(4-methoxyphenyl)acetamide
SMILESCC[C@H](C)[C@@H](NC(=O)Cc1ccc(OC)cc1)c1nc2ccccc2[nH]1
InChIInChI=1S/C21H25N3O2/c1-4-14(2)20(21-22-17-7-5-6-8-18(17)23-21)24-19(25)13-15-9-11-16(26-3)12-10-15/h5-12,14,20H,4,13H2,1-3H3,(H,22,23)(H,24,25)/t14-,20+/m0/s1
InChIKeyWFEIUCMFSRKFCY-VBKZILBWSA-N
MW351.45 g/mol
LogP4.02
Rot. Bonds7

About N-[(1R,2S)-1-(1H-benzimidazol-2-yl)-2-methylbutyl]-2-(4-methoxyphenyl)acetamide

N-[(1R,2S)-1-(1H-benzimidazol-2-yl)-2-methylbutyl]-2-(4-methoxyphenyl)acetamide (PubChem CID 124873697) has the molecular formula C21H25N3O2 and a molecular weight of 351.45 g/mol. Its IUPAC name is N-[(1R,2S)-1-(1H-benzimidazol-2-yl)-2-methylbutyl]-2-(4-methoxyphenyl)acetamide.

Molecular Properties

Compound NameN-[(1R,2S)-1-(1H-benzimidazol-2-yl)-2-methylbutyl]-2-(4-methoxyphenyl)acetamide
PubChem CID124873697
Molecular FormulaC21H25N3O2
Molecular Weight351.45 g/mol
Exact Mass351.19
IUPAC NameN-[(1R,2S)-1-(1H-benzimidazol-2-yl)-2-methylbutyl]-2-(4-methoxyphenyl)acetamide
SMILESCC[C@H](C)[C@@H](NC(=O)Cc1ccc(OC)cc1)c1nc2ccccc2[nH]1
InChIInChI=1S/C21H25N3O2/c1-4-14(2)20(21-22-17-7-5-6-8-18(17)23-21)24-19(25)13-15-9-11-16(26-3)12-10-15/h5-12,14,20H,4,13H2,1-3H3,(H,22,23)(H,24,25)/t14-,20+/m0/s1
InChIKeyWFEIUCMFSRKFCY-VBKZILBWSA-N
XLogP4.02
TPSA67.01 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.45
LogP ≤ 54.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[1-(1H-benzimidazol-2-yl)-2-methylpropyl]-2-(4-methoxyphenyl)acetamide
CID 51158115
N-[1-(1H-benzimidazol-2-yl)-2-methylbutyl]-2-(4-sulfamoylphenyl)acetamide
CID 56552652
N-[2-[[1-(1H-benzimidazol-2-yl)-2-methylbutyl]amino]-2-oxoethyl]-2-methylbutanamide
CID 51091867
N-[(1S,2R)-1-(1H-benzimidazol-2-yl)-2-methylbutyl]-3,3,3-trifluoropropanamide
CID 95155727
N-[1-(1H-benzimidazol-2-yl)-2-methylpropyl]-2-(4-methylphenyl)acetamide
CID 51205905
N-[1-(1H-benzimidazol-2-yl)-2-methylpropyl]-2-(4-methoxyphenoxy)acetamide
CID 51158137
N-[(1S)-1-(1H-benzimidazol-2-yl)-2-methylpropyl]-2-(3-methoxy-4-methylphenyl)acetamide
CID 55936739
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
N-[1-(1H-benzimidazol-2-yl)-2-methylbutyl]-2-(1,2-benzoxazol-3-yl)acetamide
CID 55812701
N-[1-(1H-benzimidazol-2-yl)-2-methylbutyl]-2-[(4-fluorophenyl)methylcarbamoylamino]acetamide
CID 55814528
N-[1-(1H-benzimidazol-2-yl)-2-methylpropyl]-5-(4-methoxyphenyl)-5-oxopentanamide
CID 60543061

Frequently Asked Questions

What is the IUPAC name of N-[(1R,2S)-1-(1H-benzimidazol-2-yl)-2-methylbutyl]-2-(4-methoxyphenyl)acetamide?
The IUPAC name of N-[(1R,2S)-1-(1H-benzimidazol-2-yl)-2-methylbutyl]-2-(4-methoxyphenyl)acetamide (CID 124873697) is N-[(1R,2S)-1-(1H-benzimidazol-2-yl)-2-methylbutyl]-2-(4-methoxyphenyl)acetamide.
What is the SMILES notation for N-[(1R,2S)-1-(1H-benzimidazol-2-yl)-2-methylbutyl]-2-(4-methoxyphenyl)acetamide?
The canonical SMILES for N-[(1R,2S)-1-(1H-benzimidazol-2-yl)-2-methylbutyl]-2-(4-methoxyphenyl)acetamide is CC[C@H](C)[C@@H](NC(=O)Cc1ccc(OC)cc1)c1nc2ccccc2[nH]1.
What is the InChIKey of N-[(1R,2S)-1-(1H-benzimidazol-2-yl)-2-methylbutyl]-2-(4-methoxyphenyl)acetamide?
The InChIKey is WFEIUCMFSRKFCY-VBKZILBWSA-N. The full InChI is InChI=1S/C21H25N3O2/c1-4-14(2)20(21-22-17-7-5-6-8-18(17)23-21)24-19(25)13-15-9-11-16(26-3)12-10-15/h5-12,14,20H,4,13H2,1-3H3,(H,22,23)(H,24,25)/t14-,20+/m0/s1.
What are the key properties of N-[(1R,2S)-1-(1H-benzimidazol-2-yl)-2-methylbutyl]-2-(4-methoxyphenyl)acetamide?
N-[(1R,2S)-1-(1H-benzimidazol-2-yl)-2-methylbutyl]-2-(4-methoxyphenyl)acetamide has a molecular weight of 351.45 g/mol, XLogP of 4.02, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R,2S)-1-(1H-benzimidazol-2-yl)-2-methylbutyl]-2-(4-methoxyphenyl)acetamide is sourced from PubChem (CID 124873697), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).