3,4-dimethoxy-N-[2-[1-(3-phenylpropyl)benzimidazol-2-yl]ethyl]benzamide

C27H29N3O3 — CID 16976863

IUPAC3,4-dimethoxy-N-[2-[1-(3-phenylpropyl)benzimidazol-2-yl]ethyl]benzamide
SMILESCOc1ccc(C(=O)NCCc2nc3ccccc3n2CCCc2ccccc2)cc1OC
InChIInChI=1S/C27H29N3O3/c1-32-24-15-14-21(19-25(24)33-2)27(31)28-17-16-26-29-22-12-6-7-13-23(22)30(26)18-8-11-20-9-4-3-5-10-20/h3-7,9-10,12-15,19H,8,11,16-18H2,1-2H3,(H,28,31)
InChIKeyKAFYRBMPAYKCFT-UHFFFAOYSA-N
MW443.55 g/mol
LogP4.66
Rot. Bonds10

About 3,4-dimethoxy-N-[2-[1-(3-phenylpropyl)benzimidazol-2-yl]ethyl]benzamide

3,4-dimethoxy-N-[2-[1-(3-phenylpropyl)benzimidazol-2-yl]ethyl]benzamide (PubChem CID 16976863) has the molecular formula C27H29N3O3 and a molecular weight of 443.55 g/mol. Its IUPAC name is 3,4-dimethoxy-N-[2-[1-(3-phenylpropyl)benzimidazol-2-yl]ethyl]benzamide.

Molecular Properties

Compound Name3,4-dimethoxy-N-[2-[1-(3-phenylpropyl)benzimidazol-2-yl]ethyl]benzamide
PubChem CID16976863
Molecular FormulaC27H29N3O3
Molecular Weight443.55 g/mol
Exact Mass443.22
IUPAC Name3,4-dimethoxy-N-[2-[1-(3-phenylpropyl)benzimidazol-2-yl]ethyl]benzamide
SMILESCOc1ccc(C(=O)NCCc2nc3ccccc3n2CCCc2ccccc2)cc1OC
InChIInChI=1S/C27H29N3O3/c1-32-24-15-14-21(19-25(24)33-2)27(31)28-17-16-26-29-22-12-6-7-13-23(22)30(26)18-8-11-20-9-4-3-5-10-20/h3-7,9-10,12-15,19H,8,11,16-18H2,1-2H3,(H,28,31)
InChIKeyKAFYRBMPAYKCFT-UHFFFAOYSA-N
XLogP4.66
TPSA65.38 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500443.55
LogP ≤ 54.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[2-(1-hexylbenzimidazol-2-yl)ethyl]-3,4-dimethoxybenzamide
CID 16976831
N-[2-(1-ethylbenzimidazol-2-yl)ethyl]-3,4-dimethoxybenzamide
CID 3237594
N-[3-(1-butylbenzimidazol-2-yl)propyl]-3,4-dimethoxybenzamide
CID 4688660
3,4-dimethoxy-N-[2-[1-(3-naphthalen-1-yloxypropyl)benzimidazol-2-yl]ethyl]benzamide
CID 16976917
3,4-dimethoxy-N-[2-[1-(3-naphthalen-2-yloxypropyl)benzimidazol-2-yl]ethyl]benzamide
CID 16976918
3,4-dimethoxy-N-[3-(1-octylbenzimidazol-2-yl)propyl]benzamide
CID 16983788
N-[2-[1-[3-(2,4-dimethylphenoxy)propyl]benzimidazol-2-yl]ethyl]-3,4-dimethoxybenzamide
CID 16976894
3,4-dimethoxy-N-[3-[1-(2-methoxyethyl)benzimidazol-2-yl]propyl]benzamide
CID 16983900
3,4-dimethoxy-N-[3-(1-propylbenzimidazol-2-yl)propyl]benzamide
CID 4548357
3,4-dimethoxy-N-[2-[1-[3-[2-methoxy-4-[(E)-prop-1-enyl]phenoxy]propyl]benzimidazol-2-yl]ethyl]benzamide
CID 16976902
N-[5-(1-benzylbenzimidazol-2-yl)pentyl]-3,4-dimethoxybenzamide
CID 16990908
3,4-dimethoxy-N-[2-[1-[3-(3-methylphenoxy)propyl]benzimidazol-2-yl]ethyl]benzamide
CID 16976904

Frequently Asked Questions

What is the IUPAC name of 3,4-dimethoxy-N-[2-[1-(3-phenylpropyl)benzimidazol-2-yl]ethyl]benzamide?
The IUPAC name of 3,4-dimethoxy-N-[2-[1-(3-phenylpropyl)benzimidazol-2-yl]ethyl]benzamide (CID 16976863) is 3,4-dimethoxy-N-[2-[1-(3-phenylpropyl)benzimidazol-2-yl]ethyl]benzamide.
What is the SMILES notation for 3,4-dimethoxy-N-[2-[1-(3-phenylpropyl)benzimidazol-2-yl]ethyl]benzamide?
The canonical SMILES for 3,4-dimethoxy-N-[2-[1-(3-phenylpropyl)benzimidazol-2-yl]ethyl]benzamide is COc1ccc(C(=O)NCCc2nc3ccccc3n2CCCc2ccccc2)cc1OC.
What is the InChIKey of 3,4-dimethoxy-N-[2-[1-(3-phenylpropyl)benzimidazol-2-yl]ethyl]benzamide?
The InChIKey is KAFYRBMPAYKCFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H29N3O3/c1-32-24-15-14-21(19-25(24)33-2)27(31)28-17-16-26-29-22-12-6-7-13-23(22)30(26)18-8-11-20-9-4-3-5-10-20/h3-7,9-10,12-15,19H,8,11,16-18H2,1-2H3,(H,28,31).
What are the key properties of 3,4-dimethoxy-N-[2-[1-(3-phenylpropyl)benzimidazol-2-yl]ethyl]benzamide?
3,4-dimethoxy-N-[2-[1-(3-phenylpropyl)benzimidazol-2-yl]ethyl]benzamide has a molecular weight of 443.55 g/mol, XLogP of 4.66, 10 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-dimethoxy-N-[2-[1-(3-phenylpropyl)benzimidazol-2-yl]ethyl]benzamide is sourced from PubChem (CID 16976863), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).