N-[(1S)-1-(1H-benzimidazol-2-yl)-3-methylbutyl]-3-(4-methoxyphenyl)propanamide

C22H27N3O2 — CID 91638824

IUPACN-[(1S)-1-(1H-benzimidazol-2-yl)-3-methylbutyl]-3-(4-methoxyphenyl)propanamide
SMILESCOc1ccc(CCC(=O)N[C@@H](CC(C)C)c2nc3ccccc3[nH]2)cc1
InChIInChI=1S/C22H27N3O2/c1-15(2)14-20(22-24-18-6-4-5-7-19(18)25-22)23-21(26)13-10-16-8-11-17(27-3)12-9-16/h4-9,11-12,15,20H,10,13-14H2,1-3H3,(H,23,26)(H,24,25)/t20-/m0/s1
InChIKeyNUZUXJBIWRRMRN-FQEVSTJZSA-N
MW365.48 g/mol
LogP4.41
Rot. Bonds8

About N-[(1S)-1-(1H-benzimidazol-2-yl)-3-methylbutyl]-3-(4-methoxyphenyl)propanamide

N-[(1S)-1-(1H-benzimidazol-2-yl)-3-methylbutyl]-3-(4-methoxyphenyl)propanamide (PubChem CID 91638824) has the molecular formula C22H27N3O2 and a molecular weight of 365.48 g/mol. Its IUPAC name is N-[(1S)-1-(1H-benzimidazol-2-yl)-3-methylbutyl]-3-(4-methoxyphenyl)propanamide.

Molecular Properties

Compound NameN-[(1S)-1-(1H-benzimidazol-2-yl)-3-methylbutyl]-3-(4-methoxyphenyl)propanamide
PubChem CID91638824
Molecular FormulaC22H27N3O2
Molecular Weight365.48 g/mol
Exact Mass365.21
IUPAC NameN-[(1S)-1-(1H-benzimidazol-2-yl)-3-methylbutyl]-3-(4-methoxyphenyl)propanamide
SMILESCOc1ccc(CCC(=O)N[C@@H](CC(C)C)c2nc3ccccc3[nH]2)cc1
InChIInChI=1S/C22H27N3O2/c1-15(2)14-20(22-24-18-6-4-5-7-19(18)25-22)23-21(26)13-10-16-8-11-17(27-3)12-9-16/h4-9,11-12,15,20H,10,13-14H2,1-3H3,(H,23,26)(H,24,25)/t20-/m0/s1
InChIKeyNUZUXJBIWRRMRN-FQEVSTJZSA-N
XLogP4.41
TPSA67.01 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.48
LogP ≤ 54.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(S)-1H-benzimidazol-2-yl(phenyl)methyl]-3-(4-methoxyphenyl)propanamide
CID 110204562
N-[1-(1H-benzimidazol-2-yl)-3-methylbutyl]-4-(methylamino)butanamide
CID 119836758
2-(4-aminophenyl)-N-[1-(1H-benzimidazol-2-yl)-3-methylbutyl]acetamide;dihydrochloride
CID 119836753
N-[(1S)-1-(1H-benzimidazol-2-yl)ethyl]-3-(4-methylphenyl)propanamide
CID 18121491
N-[1-(1H-benzimidazol-2-yl)-2-methylpropyl]-2-(4-methoxyphenyl)acetamide
CID 51158115
N-[1-(1H-benzimidazol-2-yl)ethyl]-3-(4-methylphenyl)propanamide
CID 73420210
N-[(1R)-1-(1H-benzimidazol-2-yl)-3-methylbutyl]-2-[(4R)-4-(4-methoxyphenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]acetamide
CID 92786885
4-amino-N-[1-(1H-benzimidazol-2-yl)-3-methylbutyl]-3-methoxybutanamide;dihydrochloride
CID 120594898
N-[1-(1H-benzimidazol-2-yl)-3-methylbutyl]-3-(3-methoxy-1,4,6-trimethylpyrazolo[5,4-b]pyridin-5-yl)propanamide
CID 55618664
N-[(1R,2S)-1-(1H-benzimidazol-2-yl)-2-methylbutyl]-2-(4-methoxyphenyl)acetamide
CID 124873697
1-[(1R)-1-(1H-benzimidazol-2-yl)-2-(4-methoxyphenyl)ethyl]-3-[2-(4-methylphenyl)ethyl]urea
CID 121471282
1-[1-(1H-benzimidazol-2-yl)-2-(4-methoxyphenyl)ethyl]-3-[2-(4-methylphenyl)ethyl]urea
CID 121471284

Frequently Asked Questions

What is the IUPAC name of N-[(1S)-1-(1H-benzimidazol-2-yl)-3-methylbutyl]-3-(4-methoxyphenyl)propanamide?
The IUPAC name of N-[(1S)-1-(1H-benzimidazol-2-yl)-3-methylbutyl]-3-(4-methoxyphenyl)propanamide (CID 91638824) is N-[(1S)-1-(1H-benzimidazol-2-yl)-3-methylbutyl]-3-(4-methoxyphenyl)propanamide.
What is the SMILES notation for N-[(1S)-1-(1H-benzimidazol-2-yl)-3-methylbutyl]-3-(4-methoxyphenyl)propanamide?
The canonical SMILES for N-[(1S)-1-(1H-benzimidazol-2-yl)-3-methylbutyl]-3-(4-methoxyphenyl)propanamide is COc1ccc(CCC(=O)N[C@@H](CC(C)C)c2nc3ccccc3[nH]2)cc1.
What is the InChIKey of N-[(1S)-1-(1H-benzimidazol-2-yl)-3-methylbutyl]-3-(4-methoxyphenyl)propanamide?
The InChIKey is NUZUXJBIWRRMRN-FQEVSTJZSA-N. The full InChI is InChI=1S/C22H27N3O2/c1-15(2)14-20(22-24-18-6-4-5-7-19(18)25-22)23-21(26)13-10-16-8-11-17(27-3)12-9-16/h4-9,11-12,15,20H,10,13-14H2,1-3H3,(H,23,26)(H,24,25)/t20-/m0/s1.
What are the key properties of N-[(1S)-1-(1H-benzimidazol-2-yl)-3-methylbutyl]-3-(4-methoxyphenyl)propanamide?
N-[(1S)-1-(1H-benzimidazol-2-yl)-3-methylbutyl]-3-(4-methoxyphenyl)propanamide has a molecular weight of 365.48 g/mol, XLogP of 4.41, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1S)-1-(1H-benzimidazol-2-yl)-3-methylbutyl]-3-(4-methoxyphenyl)propanamide is sourced from PubChem (CID 91638824), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).