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

C24H23N3O2 — CID 15997481

IUPACN-[3-(1H-benzimidazol-2-yl)phenyl]-3-butoxybenzamide
SMILESCCCCOc1cccc(C(=O)Nc2cccc(-c3nc4ccccc4[nH]3)c2)c1
InChIInChI=1S/C24H23N3O2/c1-2-3-14-29-20-11-7-9-18(16-20)24(28)25-19-10-6-8-17(15-19)23-26-21-12-4-5-13-22(21)27-23/h4-13,15-16H,2-3,14H2,1H3,(H,25,28)(H,26,27)
InChIKeyPVQBQTRUQBLQHY-UHFFFAOYSA-N
MW385.47 g/mol
LogP5.66
Rot. Bonds7

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

N-[3-(1H-benzimidazol-2-yl)phenyl]-3-butoxybenzamide (PubChem CID 15997481) has the molecular formula C24H23N3O2 and a molecular weight of 385.47 g/mol. Its IUPAC name is N-[3-(1H-benzimidazol-2-yl)phenyl]-3-butoxybenzamide.

Molecular Properties

Compound NameN-[3-(1H-benzimidazol-2-yl)phenyl]-3-butoxybenzamide
PubChem CID15997481
Molecular FormulaC24H23N3O2
Molecular Weight385.47 g/mol
Exact Mass385.18
IUPAC NameN-[3-(1H-benzimidazol-2-yl)phenyl]-3-butoxybenzamide
SMILESCCCCOc1cccc(C(=O)Nc2cccc(-c3nc4ccccc4[nH]3)c2)c1
InChIInChI=1S/C24H23N3O2/c1-2-3-14-29-20-11-7-9-18(16-20)24(28)25-19-10-6-8-17(15-19)23-26-21-12-4-5-13-22(21)27-23/h4-13,15-16H,2-3,14H2,1H3,(H,25,28)(H,26,27)
InChIKeyPVQBQTRUQBLQHY-UHFFFAOYSA-N
XLogP5.66
TPSA67.01 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500385.47
LogP ≤ 55.66
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-[3-(1H-benzimidazol-2-yl)phenyl]-4-heptoxybenzamide
CID 3131474
N-[5-(1H-benzimidazol-2-yl)-2-methylphenyl]-3-butoxybenzamide
CID 3114141
[3-[[3-(1H-benzimidazol-2-yl)phenyl]carbamoyl]phenyl] acetate
CID 5058448
N-[3-(1H-benzimidazol-2-yl)phenyl]-4-methoxybenzamide
CID 2810335
3-acetamido-N-[3-[3-(1H-benzimidazol-2-yl)phenyl]phenyl]benzamide
CID 44523579
N-[3-(1H-benzimidazol-2-yl)phenyl]-3-ethylsulfonylbenzamide
CID 7522685
N-[[4-(1H-benzimidazol-2-yl)phenyl]carbamothioyl]-3-propoxybenzamide
CID 2283414
3-[(3-butoxybenzoyl)amino]-N-phenylbenzamide
CID 54781128
N-[3-(1H-benzimidazol-2-yl)phenyl]-3,5-dimethylbenzamide
CID 969400
N-[3-(1H-benzimidazol-2-yl)phenyl]-3,4,5-trimethoxybenzamide
CID 1104078
N-[3-(1H-benzimidazol-2-yl)phenyl]-4-(difluoromethoxy)benzamide
CID 134017494
N-[3-(1H-benzimidazol-2-yl)phenyl]-2-(3-ethylphenoxy)acetamide
CID 2301170

Frequently Asked Questions

What is the IUPAC name of N-[3-(1H-benzimidazol-2-yl)phenyl]-3-butoxybenzamide?
The IUPAC name of N-[3-(1H-benzimidazol-2-yl)phenyl]-3-butoxybenzamide (CID 15997481) is N-[3-(1H-benzimidazol-2-yl)phenyl]-3-butoxybenzamide.
What is the SMILES notation for N-[3-(1H-benzimidazol-2-yl)phenyl]-3-butoxybenzamide?
The canonical SMILES for N-[3-(1H-benzimidazol-2-yl)phenyl]-3-butoxybenzamide is CCCCOc1cccc(C(=O)Nc2cccc(-c3nc4ccccc4[nH]3)c2)c1.
What is the InChIKey of N-[3-(1H-benzimidazol-2-yl)phenyl]-3-butoxybenzamide?
The InChIKey is PVQBQTRUQBLQHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23N3O2/c1-2-3-14-29-20-11-7-9-18(16-20)24(28)25-19-10-6-8-17(15-19)23-26-21-12-4-5-13-22(21)27-23/h4-13,15-16H,2-3,14H2,1H3,(H,25,28)(H,26,27).
What are the key properties of N-[3-(1H-benzimidazol-2-yl)phenyl]-3-butoxybenzamide?
N-[3-(1H-benzimidazol-2-yl)phenyl]-3-butoxybenzamide has a molecular weight of 385.47 g/mol, XLogP of 5.66, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(1H-benzimidazol-2-yl)phenyl]-3-butoxybenzamide is sourced from PubChem (CID 15997481), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).