N-[5-[1-(3-phenylpropyl)benzimidazol-2-yl]pentyl]prop-2-enamide

C24H29N3O — CID 16992231

IUPACN-[5-[1-(3-phenylpropyl)benzimidazol-2-yl]pentyl]prop-2-enamide
SMILESC=CC(=O)NCCCCCc1nc2ccccc2n1CCCc1ccccc1
InChIInChI=1S/C24H29N3O/c1-2-24(28)25-18-10-4-7-17-23-26-21-15-8-9-16-22(21)27(23)19-11-14-20-12-5-3-6-13-20/h2-3,5-6,8-9,12-13,15-16H,1,4,7,10-11,14,17-19H2,(H,25,28)
InChIKeyJNRXGYGUAPRCFQ-UHFFFAOYSA-N
MW375.52 g/mol
LogP4.68
Rot. Bonds11

About N-[5-[1-(3-phenylpropyl)benzimidazol-2-yl]pentyl]prop-2-enamide

N-[5-[1-(3-phenylpropyl)benzimidazol-2-yl]pentyl]prop-2-enamide (PubChem CID 16992231) has the molecular formula C24H29N3O and a molecular weight of 375.52 g/mol. Its IUPAC name is N-[5-[1-(3-phenylpropyl)benzimidazol-2-yl]pentyl]prop-2-enamide.

Molecular Properties

Compound NameN-[5-[1-(3-phenylpropyl)benzimidazol-2-yl]pentyl]prop-2-enamide
PubChem CID16992231
Molecular FormulaC24H29N3O
Molecular Weight375.52 g/mol
Exact Mass375.23
IUPAC NameN-[5-[1-(3-phenylpropyl)benzimidazol-2-yl]pentyl]prop-2-enamide
SMILESC=CC(=O)NCCCCCc1nc2ccccc2n1CCCc1ccccc1
InChIInChI=1S/C24H29N3O/c1-2-24(28)25-18-10-4-7-17-23-26-21-15-8-9-16-22(21)27(23)19-11-14-20-12-5-3-6-13-20/h2-3,5-6,8-9,12-13,15-16H,1,4,7,10-11,14,17-19H2,(H,25,28)
InChIKeyJNRXGYGUAPRCFQ-UHFFFAOYSA-N
XLogP4.68
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds11
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.52
LogP ≤ 54.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

N-[5-(1-heptylbenzimidazol-2-yl)pentyl]prop-2-enamide
CID 16992196
N-[3-(1-heptylbenzimidazol-2-yl)propyl]prop-2-enamide
CID 16986709
N-[3-(1-decylbenzimidazol-2-yl)propyl]prop-2-enamide
CID 16986712
N-[2-(1-undecylbenzimidazol-2-yl)ethyl]prop-2-enamide
CID 16980216
N-[2-(1-dodecylbenzimidazol-2-yl)ethyl]prop-2-enamide
CID 16980217
2-methyl-N-[5-[1-(3-phenylpropyl)benzimidazol-2-yl]pentyl]benzamide
CID 16989477
N-[2-(1-butylbenzimidazol-2-yl)ethyl]prop-2-enamide
CID 16980207
N-[5-[1-[(2-methylphenyl)methyl]benzimidazol-2-yl]pentyl]prop-2-enamide
CID 16992206
N-[3-(1-prop-2-enylbenzimidazol-2-yl)propyl]prop-2-enamide
CID 16986702
N-[3-(1-ethylbenzimidazol-2-yl)propyl]prop-2-enamide
CID 16986696
N-[5-[1-[3-(4-propan-2-ylphenoxy)propyl]benzimidazol-2-yl]pentyl]prop-2-enamide
CID 16992280
4-methoxy-N-[5-[1-(3-phenylpropyl)benzimidazol-2-yl]pentyl]benzamide
CID 16991259

Frequently Asked Questions

What is the IUPAC name of N-[5-[1-(3-phenylpropyl)benzimidazol-2-yl]pentyl]prop-2-enamide?
The IUPAC name of N-[5-[1-(3-phenylpropyl)benzimidazol-2-yl]pentyl]prop-2-enamide (CID 16992231) is N-[5-[1-(3-phenylpropyl)benzimidazol-2-yl]pentyl]prop-2-enamide.
What is the SMILES notation for N-[5-[1-(3-phenylpropyl)benzimidazol-2-yl]pentyl]prop-2-enamide?
The canonical SMILES for N-[5-[1-(3-phenylpropyl)benzimidazol-2-yl]pentyl]prop-2-enamide is C=CC(=O)NCCCCCc1nc2ccccc2n1CCCc1ccccc1.
What is the InChIKey of N-[5-[1-(3-phenylpropyl)benzimidazol-2-yl]pentyl]prop-2-enamide?
The InChIKey is JNRXGYGUAPRCFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H29N3O/c1-2-24(28)25-18-10-4-7-17-23-26-21-15-8-9-16-22(21)27(23)19-11-14-20-12-5-3-6-13-20/h2-3,5-6,8-9,12-13,15-16H,1,4,7,10-11,14,17-19H2,(H,25,28).
What are the key properties of N-[5-[1-(3-phenylpropyl)benzimidazol-2-yl]pentyl]prop-2-enamide?
N-[5-[1-(3-phenylpropyl)benzimidazol-2-yl]pentyl]prop-2-enamide has a molecular weight of 375.52 g/mol, XLogP of 4.68, 11 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-[1-(3-phenylpropyl)benzimidazol-2-yl]pentyl]prop-2-enamide is sourced from PubChem (CID 16992231), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).