N-[5-(1H-benzimidazol-2-yl)-2-methylphenyl]-3-butoxybenzamide

C25H25N3O2 — CID 3114141

IUPACN-[5-(1H-benzimidazol-2-yl)-2-methylphenyl]-3-butoxybenzamide
SMILESCCCCOc1cccc(C(=O)Nc2cc(-c3nc4ccccc4[nH]3)ccc2C)c1
InChIInChI=1S/C25H25N3O2/c1-3-4-14-30-20-9-7-8-19(15-20)25(29)28-23-16-18(13-12-17(23)2)24-26-21-10-5-6-11-22(21)27-24/h5-13,15-16H,3-4,14H2,1-2H3,(H,26,27)(H,28,29)
InChIKeyACFBQTGDVXEKMA-UHFFFAOYSA-N
MW399.49 g/mol
LogP5.97
Rot. Bonds7

About N-[5-(1H-benzimidazol-2-yl)-2-methylphenyl]-3-butoxybenzamide

N-[5-(1H-benzimidazol-2-yl)-2-methylphenyl]-3-butoxybenzamide (PubChem CID 3114141) has the molecular formula C25H25N3O2 and a molecular weight of 399.49 g/mol. Its IUPAC name is N-[5-(1H-benzimidazol-2-yl)-2-methylphenyl]-3-butoxybenzamide.

Molecular Properties

Compound NameN-[5-(1H-benzimidazol-2-yl)-2-methylphenyl]-3-butoxybenzamide
PubChem CID3114141
Molecular FormulaC25H25N3O2
Molecular Weight399.49 g/mol
Exact Mass399.19
IUPAC NameN-[5-(1H-benzimidazol-2-yl)-2-methylphenyl]-3-butoxybenzamide
SMILESCCCCOc1cccc(C(=O)Nc2cc(-c3nc4ccccc4[nH]3)ccc2C)c1
InChIInChI=1S/C25H25N3O2/c1-3-4-14-30-20-9-7-8-19(15-20)25(29)28-23-16-18(13-12-17(23)2)24-26-21-10-5-6-11-22(21)27-24/h5-13,15-16H,3-4,14H2,1-2H3,(H,26,27)(H,28,29)
InChIKeyACFBQTGDVXEKMA-UHFFFAOYSA-N
XLogP5.97
TPSA67.01 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500399.49
LogP ≤ 55.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-[5-(1H-benzimidazol-2-yl)-2-methylphenyl]-3-(3-methylbutoxy)benzamide
CID 1213621
N-[3-(1H-benzimidazol-2-yl)phenyl]-3-butoxybenzamide
CID 15997481
N-[5-(1H-benzimidazol-2-yl)-2-methylphenyl]-3-fluorobenzamide
CID 17100747
N-[3-(1H-benzimidazol-2-yl)phenyl]-4-heptoxybenzamide
CID 3131474
N-[[4-(1H-benzimidazol-2-yl)phenyl]carbamothioyl]-3-propoxybenzamide
CID 2283414
N-[5-(1H-benzimidazol-2-yl)-2-methylphenyl]butanamide;hydrochloride
CID 163329469
N-[5-(1H-benzimidazol-2-yl)-2-methylphenyl]pyrazine-2-carboxamide
CID 1448569
N-[5-(1H-benzimidazol-2-yl)-2-methylphenyl]-2-methylbutanamide
CID 17296295
N-[5-(1H-benzimidazol-2-yl)-2-methylphenyl]-2,4-dimethylbenzamide
CID 1290892
N-[5-(1H-benzimidazol-2-yl)-2-methylphenyl]-2-methoxybenzamide;hydrochloride
CID 146052811
N-[5-(1H-benzimidazol-2-yl)-2-methylphenyl]-2-(4-nitrophenoxy)acetamide
CID 46785986
N-[2-(1H-benzimidazol-2-yl)phenyl]-3-methoxybenzamide
CID 742047

Frequently Asked Questions

What is the IUPAC name of N-[5-(1H-benzimidazol-2-yl)-2-methylphenyl]-3-butoxybenzamide?
The IUPAC name of N-[5-(1H-benzimidazol-2-yl)-2-methylphenyl]-3-butoxybenzamide (CID 3114141) is N-[5-(1H-benzimidazol-2-yl)-2-methylphenyl]-3-butoxybenzamide.
What is the SMILES notation for N-[5-(1H-benzimidazol-2-yl)-2-methylphenyl]-3-butoxybenzamide?
The canonical SMILES for N-[5-(1H-benzimidazol-2-yl)-2-methylphenyl]-3-butoxybenzamide is CCCCOc1cccc(C(=O)Nc2cc(-c3nc4ccccc4[nH]3)ccc2C)c1.
What is the InChIKey of N-[5-(1H-benzimidazol-2-yl)-2-methylphenyl]-3-butoxybenzamide?
The InChIKey is ACFBQTGDVXEKMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H25N3O2/c1-3-4-14-30-20-9-7-8-19(15-20)25(29)28-23-16-18(13-12-17(23)2)24-26-21-10-5-6-11-22(21)27-24/h5-13,15-16H,3-4,14H2,1-2H3,(H,26,27)(H,28,29).
What are the key properties of N-[5-(1H-benzimidazol-2-yl)-2-methylphenyl]-3-butoxybenzamide?
N-[5-(1H-benzimidazol-2-yl)-2-methylphenyl]-3-butoxybenzamide has a molecular weight of 399.49 g/mol, XLogP of 5.97, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(1H-benzimidazol-2-yl)-2-methylphenyl]-3-butoxybenzamide is sourced from PubChem (CID 3114141), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).