N-[3-(1-butylbenzimidazol-2-yl)propyl]-4-methoxybenzamide

C22H27N3O2 — CID 16984092

IUPACN-[3-(1-butylbenzimidazol-2-yl)propyl]-4-methoxybenzamide
SMILESCCCCn1c(CCCNC(=O)c2ccc(OC)cc2)nc2ccccc21
InChIInChI=1S/C22H27N3O2/c1-3-4-16-25-20-9-6-5-8-19(20)24-21(25)10-7-15-23-22(26)17-11-13-18(27-2)14-12-17/h5-6,8-9,11-14H,3-4,7,10,15-16H2,1-2H3,(H,23,26)
InChIKeySYSRXOYYICUEBB-UHFFFAOYSA-N
MW365.48 g/mol
LogP4.21
Rot. Bonds9

About N-[3-(1-butylbenzimidazol-2-yl)propyl]-4-methoxybenzamide

N-[3-(1-butylbenzimidazol-2-yl)propyl]-4-methoxybenzamide (PubChem CID 16984092) has the molecular formula C22H27N3O2 and a molecular weight of 365.48 g/mol. Its IUPAC name is N-[3-(1-butylbenzimidazol-2-yl)propyl]-4-methoxybenzamide.

Molecular Properties

Compound NameN-[3-(1-butylbenzimidazol-2-yl)propyl]-4-methoxybenzamide
PubChem CID16984092
Molecular FormulaC22H27N3O2
Molecular Weight365.48 g/mol
Exact Mass365.21
IUPAC NameN-[3-(1-butylbenzimidazol-2-yl)propyl]-4-methoxybenzamide
SMILESCCCCn1c(CCCNC(=O)c2ccc(OC)cc2)nc2ccccc21
InChIInChI=1S/C22H27N3O2/c1-3-4-16-25-20-9-6-5-8-19(20)24-21(25)10-7-15-23-22(26)17-11-13-18(27-2)14-12-17/h5-6,8-9,11-14H,3-4,7,10,15-16H2,1-2H3,(H,23,26)
InChIKeySYSRXOYYICUEBB-UHFFFAOYSA-N
XLogP4.21
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.48
LogP ≤ 54.21
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

4-methoxy-N-[2-(1-undecylbenzimidazol-2-yl)ethyl]benzamide
CID 16976682
N-[3-(1-butylbenzimidazol-2-yl)propyl]-3,4-dimethoxybenzamide
CID 4688660
N-[3-[1-[4-(4-methoxyphenoxy)butyl]benzimidazol-2-yl]propyl]benzamide
CID 16982302
N-[3-(1-undecylbenzimidazol-2-yl)propyl]benzamide
CID 16982202
4-methyl-N-[3-(1-nonylbenzimidazol-2-yl)propyl]benzamide
CID 16984261
4-methoxy-N-[5-[1-(3-phenylpropyl)benzimidazol-2-yl]pentyl]benzamide
CID 16991259
2-(4-methoxyphenyl)-N-[3-(1-nonylbenzimidazol-2-yl)propyl]acetamide
CID 16985520
N-[3-(1-hexylbenzimidazol-2-yl)propyl]-2-(4-methoxyphenyl)acetamide
CID 16985517
4-chloro-N-[3-(1-octadecylbenzimidazol-2-yl)propyl]benzamide
CID 16984573
3,4-dimethoxy-N-[3-(1-octylbenzimidazol-2-yl)propyl]benzamide
CID 16983788
N-[3-[1-[2-[butyl(methyl)amino]-2-oxoethyl]benzimidazol-2-yl]propyl]-4-methoxybenzamide
CID 16984220
N-[5-(1-octadecylbenzimidazol-2-yl)pentyl]benzamide
CID 16989287

Frequently Asked Questions

What is the IUPAC name of N-[3-(1-butylbenzimidazol-2-yl)propyl]-4-methoxybenzamide?
The IUPAC name of N-[3-(1-butylbenzimidazol-2-yl)propyl]-4-methoxybenzamide (CID 16984092) is N-[3-(1-butylbenzimidazol-2-yl)propyl]-4-methoxybenzamide.
What is the SMILES notation for N-[3-(1-butylbenzimidazol-2-yl)propyl]-4-methoxybenzamide?
The canonical SMILES for N-[3-(1-butylbenzimidazol-2-yl)propyl]-4-methoxybenzamide is CCCCn1c(CCCNC(=O)c2ccc(OC)cc2)nc2ccccc21.
What is the InChIKey of N-[3-(1-butylbenzimidazol-2-yl)propyl]-4-methoxybenzamide?
The InChIKey is SYSRXOYYICUEBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H27N3O2/c1-3-4-16-25-20-9-6-5-8-19(20)24-21(25)10-7-15-23-22(26)17-11-13-18(27-2)14-12-17/h5-6,8-9,11-14H,3-4,7,10,15-16H2,1-2H3,(H,23,26).
What are the key properties of N-[3-(1-butylbenzimidazol-2-yl)propyl]-4-methoxybenzamide?
N-[3-(1-butylbenzimidazol-2-yl)propyl]-4-methoxybenzamide has a molecular weight of 365.48 g/mol, XLogP of 4.21, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(1-butylbenzimidazol-2-yl)propyl]-4-methoxybenzamide is sourced from PubChem (CID 16984092), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).