N-[4-(1H-benzimidazol-2-yl)phenyl]-3-(3-methylphenoxy)propanamide

C23H21N3O2 — CID 17296614

IUPACN-[4-(1H-benzimidazol-2-yl)phenyl]-3-(3-methylphenoxy)propanamide
SMILESCc1cccc(OCCC(=O)Nc2ccc(-c3nc4ccccc4[nH]3)cc2)c1
InChIInChI=1S/C23H21N3O2/c1-16-5-4-6-19(15-16)28-14-13-22(27)24-18-11-9-17(10-12-18)23-25-20-7-2-3-8-21(20)26-23/h2-12,15H,13-14H2,1H3,(H,24,27)(H,25,26)
InChIKeyBPCWEMRUKLJEJN-UHFFFAOYSA-N
MW371.44 g/mol
LogP4.95
Rot. Bonds6

About N-[4-(1H-benzimidazol-2-yl)phenyl]-3-(3-methylphenoxy)propanamide

N-[4-(1H-benzimidazol-2-yl)phenyl]-3-(3-methylphenoxy)propanamide (PubChem CID 17296614) has the molecular formula C23H21N3O2 and a molecular weight of 371.44 g/mol. Its IUPAC name is N-[4-(1H-benzimidazol-2-yl)phenyl]-3-(3-methylphenoxy)propanamide.

Molecular Properties

Compound NameN-[4-(1H-benzimidazol-2-yl)phenyl]-3-(3-methylphenoxy)propanamide
PubChem CID17296614
Molecular FormulaC23H21N3O2
Molecular Weight371.44 g/mol
Exact Mass371.16
IUPAC NameN-[4-(1H-benzimidazol-2-yl)phenyl]-3-(3-methylphenoxy)propanamide
SMILESCc1cccc(OCCC(=O)Nc2ccc(-c3nc4ccccc4[nH]3)cc2)c1
InChIInChI=1S/C23H21N3O2/c1-16-5-4-6-19(15-16)28-14-13-22(27)24-18-11-9-17(10-12-18)23-25-20-7-2-3-8-21(20)26-23/h2-12,15H,13-14H2,1H3,(H,24,27)(H,25,26)
InChIKeyBPCWEMRUKLJEJN-UHFFFAOYSA-N
XLogP4.95
TPSA67.01 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.44
LogP ≤ 54.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(1H-benzimidazol-2-yl)-4-(3-methylphenoxy)butanamide
CID 2472289
4-[4-(1H-benzimidazol-2-yl)anilino]-4-oxobutanoic acid
CID 767937
methyl 5-[4-(1H-benzimidazol-2-yl)anilino]-5-oxopentanoate
CID 118717470
N-[4-(1H-benzimidazol-2-yl)phenyl]octadecanamide
CID 101392453
4-[4-(1H-benzimidazol-2-yl)anilino]-4-oxobutanoate
CID 3680939
N-(4-chlorophenyl)-3-(3-methylphenoxy)propanamide
CID 7965845
N-[4-(1H-benzimidazol-2-yl)phenyl]-2-(2-methylphenoxy)acetamide
CID 1369927
N-[[4-(1H-benzimidazol-2-yl)phenyl]carbamothioyl]-3-propoxybenzamide
CID 2283414
N-[4-(6-methyl-1H-benzimidazol-2-yl)phenyl]-3-phenylpropanamide
CID 17297236
N-[4-(1H-benzimidazol-2-yl)phenyl]-2-(4-ethoxyphenyl)acetamide
CID 40692441
N-[4-(6-methyl-1H-benzimidazol-2-yl)phenyl]-4-oxopentanamide
CID 90145481
N-[4-(1H-benzimidazol-2-yl)phenyl]-3-(4-methoxyphenyl)sulfonylpropanamide
CID 18586254

Frequently Asked Questions

What is the IUPAC name of N-[4-(1H-benzimidazol-2-yl)phenyl]-3-(3-methylphenoxy)propanamide?
The IUPAC name of N-[4-(1H-benzimidazol-2-yl)phenyl]-3-(3-methylphenoxy)propanamide (CID 17296614) is N-[4-(1H-benzimidazol-2-yl)phenyl]-3-(3-methylphenoxy)propanamide.
What is the SMILES notation for N-[4-(1H-benzimidazol-2-yl)phenyl]-3-(3-methylphenoxy)propanamide?
The canonical SMILES for N-[4-(1H-benzimidazol-2-yl)phenyl]-3-(3-methylphenoxy)propanamide is Cc1cccc(OCCC(=O)Nc2ccc(-c3nc4ccccc4[nH]3)cc2)c1.
What is the InChIKey of N-[4-(1H-benzimidazol-2-yl)phenyl]-3-(3-methylphenoxy)propanamide?
The InChIKey is BPCWEMRUKLJEJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21N3O2/c1-16-5-4-6-19(15-16)28-14-13-22(27)24-18-11-9-17(10-12-18)23-25-20-7-2-3-8-21(20)26-23/h2-12,15H,13-14H2,1H3,(H,24,27)(H,25,26).
What are the key properties of N-[4-(1H-benzimidazol-2-yl)phenyl]-3-(3-methylphenoxy)propanamide?
N-[4-(1H-benzimidazol-2-yl)phenyl]-3-(3-methylphenoxy)propanamide has a molecular weight of 371.44 g/mol, XLogP of 4.95, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(1H-benzimidazol-2-yl)phenyl]-3-(3-methylphenoxy)propanamide is sourced from PubChem (CID 17296614), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).