N-[3-(1-decylbenzimidazol-2-yl)propyl]-3,4,5-trimethoxybenzamide

C30H43N3O4 — CID 16983942

IUPACN-[3-(1-decylbenzimidazol-2-yl)propyl]-3,4,5-trimethoxybenzamide
SMILESCCCCCCCCCCn1c(CCCNC(=O)c2cc(OC)c(OC)c(OC)c2)nc2ccccc21
InChIInChI=1S/C30H43N3O4/c1-5-6-7-8-9-10-11-14-20-33-25-17-13-12-16-24(25)32-28(33)18-15-19-31-30(34)23-21-26(35-2)29(37-4)27(22-23)36-3/h12-13,16-17,21-22H,5-11,14-15,18-20H2,1-4H3,(H,31,34)
InChIKeyVPDIKEVHTMTBFE-UHFFFAOYSA-N
MW509.69 g/mol
LogP6.57
Rot. Bonds17

About N-[3-(1-decylbenzimidazol-2-yl)propyl]-3,4,5-trimethoxybenzamide

N-[3-(1-decylbenzimidazol-2-yl)propyl]-3,4,5-trimethoxybenzamide (PubChem CID 16983942) has the molecular formula C30H43N3O4 and a molecular weight of 509.69 g/mol. Its IUPAC name is N-[3-(1-decylbenzimidazol-2-yl)propyl]-3,4,5-trimethoxybenzamide.

Molecular Properties

Compound NameN-[3-(1-decylbenzimidazol-2-yl)propyl]-3,4,5-trimethoxybenzamide
PubChem CID16983942
Molecular FormulaC30H43N3O4
Molecular Weight509.69 g/mol
Exact Mass509.33
IUPAC NameN-[3-(1-decylbenzimidazol-2-yl)propyl]-3,4,5-trimethoxybenzamide
SMILESCCCCCCCCCCn1c(CCCNC(=O)c2cc(OC)c(OC)c(OC)c2)nc2ccccc21
InChIInChI=1S/C30H43N3O4/c1-5-6-7-8-9-10-11-14-20-33-25-17-13-12-16-24(25)32-28(33)18-15-19-31-30(34)23-21-26(35-2)29(37-4)27(22-23)36-3/h12-13,16-17,21-22H,5-11,14-15,18-20H2,1-4H3,(H,31,34)
InChIKeyVPDIKEVHTMTBFE-UHFFFAOYSA-N
XLogP6.57
TPSA74.61 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds17
Heavy Atoms37
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500509.69
LogP ≤ 56.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

3,4-dimethoxy-N-[3-(1-octylbenzimidazol-2-yl)propyl]benzamide
CID 16983788
3,4,5-trimethoxy-N-[(1-pentylbenzimidazol-2-yl)methyl]benzamide
CID 5078150
3,4,5-trimethoxy-N-[5-[1-[3-(2-methoxyphenoxy)propyl]benzimidazol-2-yl]pentyl]benzamide
CID 16991134
3,4,5-trimethoxy-N-[5-[1-(2-phenylethyl)benzimidazol-2-yl]pentyl]benzamide
CID 16991095
N-[3-(1-butylbenzimidazol-2-yl)propyl]-3,4-dimethoxybenzamide
CID 4688660
3,4,5-trimethoxy-N-[5-[1-(3-phenoxypropyl)benzimidazol-2-yl]pentyl]benzamide
CID 16991125
N-[2-(1-hexylbenzimidazol-2-yl)ethyl]-3,4-dimethoxybenzamide
CID 16976831
3,4,5-trimethoxy-N-[5-[1-[3-(4-methylphenoxy)propyl]benzimidazol-2-yl]pentyl]benzamide
CID 16991144
N-[3-(1-undecylbenzimidazol-2-yl)propyl]benzamide
CID 16982202
3,4-dimethoxy-N-[3-(1-propylbenzimidazol-2-yl)propyl]benzamide
CID 4548357
2-methoxy-N-[3-(1-pentylbenzimidazol-2-yl)propyl]benzamide
CID 4753688
N-[3-[1-(2-cyclohexylethyl)benzimidazol-2-yl]propyl]-3,4,5-trimethoxybenzamide
CID 16983969

Frequently Asked Questions

What is the IUPAC name of N-[3-(1-decylbenzimidazol-2-yl)propyl]-3,4,5-trimethoxybenzamide?
The IUPAC name of N-[3-(1-decylbenzimidazol-2-yl)propyl]-3,4,5-trimethoxybenzamide (CID 16983942) is N-[3-(1-decylbenzimidazol-2-yl)propyl]-3,4,5-trimethoxybenzamide.
What is the SMILES notation for N-[3-(1-decylbenzimidazol-2-yl)propyl]-3,4,5-trimethoxybenzamide?
The canonical SMILES for N-[3-(1-decylbenzimidazol-2-yl)propyl]-3,4,5-trimethoxybenzamide is CCCCCCCCCCn1c(CCCNC(=O)c2cc(OC)c(OC)c(OC)c2)nc2ccccc21.
What is the InChIKey of N-[3-(1-decylbenzimidazol-2-yl)propyl]-3,4,5-trimethoxybenzamide?
The InChIKey is VPDIKEVHTMTBFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H43N3O4/c1-5-6-7-8-9-10-11-14-20-33-25-17-13-12-16-24(25)32-28(33)18-15-19-31-30(34)23-21-26(35-2)29(37-4)27(22-23)36-3/h12-13,16-17,21-22H,5-11,14-15,18-20H2,1-4H3,(H,31,34).
What are the key properties of N-[3-(1-decylbenzimidazol-2-yl)propyl]-3,4,5-trimethoxybenzamide?
N-[3-(1-decylbenzimidazol-2-yl)propyl]-3,4,5-trimethoxybenzamide has a molecular weight of 509.69 g/mol, XLogP of 6.57, 17 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(1-decylbenzimidazol-2-yl)propyl]-3,4,5-trimethoxybenzamide is sourced from PubChem (CID 16983942), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).