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

C27H29N3O2 — CID 3131474

IUPACN-[3-(1H-benzimidazol-2-yl)phenyl]-4-heptoxybenzamide
SMILESCCCCCCCOc1ccc(C(=O)Nc2cccc(-c3nc4ccccc4[nH]3)c2)cc1
InChIInChI=1S/C27H29N3O2/c1-2-3-4-5-8-18-32-23-16-14-20(15-17-23)27(31)28-22-11-9-10-21(19-22)26-29-24-12-6-7-13-25(24)30-26/h6-7,9-17,19H,2-5,8,18H2,1H3,(H,28,31)(H,29,30)
InChIKeyPRGXYPJHHZSXSQ-UHFFFAOYSA-N
MW427.55 g/mol
LogP6.83
Rot. Bonds10

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

N-[3-(1H-benzimidazol-2-yl)phenyl]-4-heptoxybenzamide (PubChem CID 3131474) has the molecular formula C27H29N3O2 and a molecular weight of 427.55 g/mol. Its IUPAC name is N-[3-(1H-benzimidazol-2-yl)phenyl]-4-heptoxybenzamide.

Molecular Properties

Compound NameN-[3-(1H-benzimidazol-2-yl)phenyl]-4-heptoxybenzamide
PubChem CID3131474
Molecular FormulaC27H29N3O2
Molecular Weight427.55 g/mol
Exact Mass427.23
IUPAC NameN-[3-(1H-benzimidazol-2-yl)phenyl]-4-heptoxybenzamide
SMILESCCCCCCCOc1ccc(C(=O)Nc2cccc(-c3nc4ccccc4[nH]3)c2)cc1
InChIInChI=1S/C27H29N3O2/c1-2-3-4-5-8-18-32-23-16-14-20(15-17-23)27(31)28-22-11-9-10-21(19-22)26-29-24-12-6-7-13-25(24)30-26/h6-7,9-17,19H,2-5,8,18H2,1H3,(H,28,31)(H,29,30)
InChIKeyPRGXYPJHHZSXSQ-UHFFFAOYSA-N
XLogP6.83
TPSA67.01 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500427.55
LogP ≤ 56.83
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]-3-butoxybenzamide
CID 15997481
N-[3-(1H-benzimidazol-2-yl)phenyl]-4-methoxybenzamide
CID 2810335
N-[3-(1H-benzimidazol-2-yl)phenyl]-4-(difluoromethoxy)benzamide
CID 134017494
4-butoxy-N-(3-hexoxyphenyl)benzamide
CID 17094812
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-(2,2-dimethylpropanoylamino)benzamide
CID 1271219
4-hexoxy-N-[3-(2-phenoxyethoxy)phenyl]benzamide
CID 17123562
N-[5-(1H-benzimidazol-2-yl)-2-methylphenyl]-3-butoxybenzamide
CID 3114141
[3-[[3-(1H-benzimidazol-2-yl)phenyl]carbamoyl]phenyl] acetate
CID 5058448
3-[(4-hexoxybenzoyl)amino]benzoic acid
CID 45425945
3-acetamido-N-[3-[3-(1H-benzimidazol-2-yl)phenyl]phenyl]benzamide
CID 44523579

Frequently Asked Questions

What is the IUPAC name of N-[3-(1H-benzimidazol-2-yl)phenyl]-4-heptoxybenzamide?
The IUPAC name of N-[3-(1H-benzimidazol-2-yl)phenyl]-4-heptoxybenzamide (CID 3131474) is N-[3-(1H-benzimidazol-2-yl)phenyl]-4-heptoxybenzamide.
What is the SMILES notation for N-[3-(1H-benzimidazol-2-yl)phenyl]-4-heptoxybenzamide?
The canonical SMILES for N-[3-(1H-benzimidazol-2-yl)phenyl]-4-heptoxybenzamide is CCCCCCCOc1ccc(C(=O)Nc2cccc(-c3nc4ccccc4[nH]3)c2)cc1.
What is the InChIKey of N-[3-(1H-benzimidazol-2-yl)phenyl]-4-heptoxybenzamide?
The InChIKey is PRGXYPJHHZSXSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H29N3O2/c1-2-3-4-5-8-18-32-23-16-14-20(15-17-23)27(31)28-22-11-9-10-21(19-22)26-29-24-12-6-7-13-25(24)30-26/h6-7,9-17,19H,2-5,8,18H2,1H3,(H,28,31)(H,29,30).
What are the key properties of N-[3-(1H-benzimidazol-2-yl)phenyl]-4-heptoxybenzamide?
N-[3-(1H-benzimidazol-2-yl)phenyl]-4-heptoxybenzamide has a molecular weight of 427.55 g/mol, XLogP of 6.83, 10 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]-4-heptoxybenzamide is sourced from PubChem (CID 3131474), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).