2-methoxy-N-[3-(1-pentylbenzimidazol-2-yl)propyl]benzamide

C23H29N3O2 — CID 4753688

IUPAC2-methoxy-N-[3-(1-pentylbenzimidazol-2-yl)propyl]benzamide
SMILESCCCCCn1c(CCCNC(=O)c2ccccc2OC)nc2ccccc21
InChIInChI=1S/C23H29N3O2/c1-3-4-9-17-26-20-13-7-6-12-19(20)25-22(26)15-10-16-24-23(27)18-11-5-8-14-21(18)28-2/h5-8,11-14H,3-4,9-10,15-17H2,1-2H3,(H,24,27)
InChIKeyMZWXSFZXOVNJCB-UHFFFAOYSA-N
MW379.50 g/mol
LogP4.60
Rot. Bonds10

About 2-methoxy-N-[3-(1-pentylbenzimidazol-2-yl)propyl]benzamide

2-methoxy-N-[3-(1-pentylbenzimidazol-2-yl)propyl]benzamide (PubChem CID 4753688) has the molecular formula C23H29N3O2 and a molecular weight of 379.50 g/mol. Its IUPAC name is 2-methoxy-N-[3-(1-pentylbenzimidazol-2-yl)propyl]benzamide.

Molecular Properties

Compound Name2-methoxy-N-[3-(1-pentylbenzimidazol-2-yl)propyl]benzamide
PubChem CID4753688
Molecular FormulaC23H29N3O2
Molecular Weight379.50 g/mol
Exact Mass379.23
IUPAC Name2-methoxy-N-[3-(1-pentylbenzimidazol-2-yl)propyl]benzamide
SMILESCCCCCn1c(CCCNC(=O)c2ccccc2OC)nc2ccccc21
InChIInChI=1S/C23H29N3O2/c1-3-4-9-17-26-20-13-7-6-12-19(20)25-22(26)15-10-16-24-23(27)18-11-5-8-14-21(18)28-2/h5-8,11-14H,3-4,9-10,15-17H2,1-2H3,(H,24,27)
InChIKeyMZWXSFZXOVNJCB-UHFFFAOYSA-N
XLogP4.60
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.50
LogP ≤ 54.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-[5-(1-heptylbenzimidazol-2-yl)pentyl]-2-methoxybenzamide
CID 16990090
2-methoxy-N-[5-(1-undecylbenzimidazol-2-yl)pentyl]benzamide
CID 16990094
N-[2-(1-heptylbenzimidazol-2-yl)ethyl]-2-methoxybenzamide
CID 16976194
2-methoxy-N-[2-(1-octadecylbenzimidazol-2-yl)ethyl]benzamide
CID 16976201
2-methoxy-N-[5-[1-[4-(2-methoxyphenoxy)butyl]benzimidazol-2-yl]pentyl]benzamide
CID 16990191
N-[3-[1-[4-(2,6-dimethylphenoxy)butyl]benzimidazol-2-yl]propyl]-2-methoxybenzamide
CID 16982927
N-[3-(1-decylbenzimidazol-2-yl)propyl]-3,4,5-trimethoxybenzamide
CID 16983942
3,4-dimethoxy-N-[3-(1-octylbenzimidazol-2-yl)propyl]benzamide
CID 16983788
2-fluoro-N-[3-[1-[3-(2-methoxyphenoxy)propyl]benzimidazol-2-yl]propyl]benzamide
CID 16983065
2-chloro-N-[3-[1-[3-(2-methoxyphenoxy)propyl]benzimidazol-2-yl]propyl]benzamide
CID 16982749
N-[3-(1-butylbenzimidazol-2-yl)propyl]-3,4-dimethoxybenzamide
CID 4688660
N-[3-[1-[(4-fluorophenyl)methyl]benzimidazol-2-yl]propyl]-2-methoxybenzamide
CID 16982855

Frequently Asked Questions

What is the IUPAC name of 2-methoxy-N-[3-(1-pentylbenzimidazol-2-yl)propyl]benzamide?
The IUPAC name of 2-methoxy-N-[3-(1-pentylbenzimidazol-2-yl)propyl]benzamide (CID 4753688) is 2-methoxy-N-[3-(1-pentylbenzimidazol-2-yl)propyl]benzamide.
What is the SMILES notation for 2-methoxy-N-[3-(1-pentylbenzimidazol-2-yl)propyl]benzamide?
The canonical SMILES for 2-methoxy-N-[3-(1-pentylbenzimidazol-2-yl)propyl]benzamide is CCCCCn1c(CCCNC(=O)c2ccccc2OC)nc2ccccc21.
What is the InChIKey of 2-methoxy-N-[3-(1-pentylbenzimidazol-2-yl)propyl]benzamide?
The InChIKey is MZWXSFZXOVNJCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H29N3O2/c1-3-4-9-17-26-20-13-7-6-12-19(20)25-22(26)15-10-16-24-23(27)18-11-5-8-14-21(18)28-2/h5-8,11-14H,3-4,9-10,15-17H2,1-2H3,(H,24,27).
What are the key properties of 2-methoxy-N-[3-(1-pentylbenzimidazol-2-yl)propyl]benzamide?
2-methoxy-N-[3-(1-pentylbenzimidazol-2-yl)propyl]benzamide has a molecular weight of 379.50 g/mol, XLogP of 4.60, 10 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-N-[3-(1-pentylbenzimidazol-2-yl)propyl]benzamide is sourced from PubChem (CID 4753688), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).