(Z)-N-[1-(1-dodecylbenzimidazol-2-yl)ethyl]-3-phenylprop-2-enamide

C30H41N3O — CID 16970279

IUPAC(Z)-N-[1-(1-dodecylbenzimidazol-2-yl)ethyl]-3-phenylprop-2-enamide
SMILESCCCCCCCCCCCCn1c(C(C)NC(=O)/C=C\c2ccccc2)nc2ccccc21
InChIInChI=1S/C30H41N3O/c1-3-4-5-6-7-8-9-10-11-17-24-33-28-21-16-15-20-27(28)32-30(33)25(2)31-29(34)23-22-26-18-13-12-14-19-26/h12-16,18-23,25H,3-11,17,24H2,1-2H3,(H,31,34)/b23-22-
InChIKeyFHJOIPFLNVUEBZ-FCQUAONHSA-N
MW459.68 g/mol
LogP7.85
Rot. Bonds15

About (Z)-N-[1-(1-dodecylbenzimidazol-2-yl)ethyl]-3-phenylprop-2-enamide

(Z)-N-[1-(1-dodecylbenzimidazol-2-yl)ethyl]-3-phenylprop-2-enamide (PubChem CID 16970279) has the molecular formula C30H41N3O and a molecular weight of 459.68 g/mol. Its IUPAC name is (Z)-N-[1-(1-dodecylbenzimidazol-2-yl)ethyl]-3-phenylprop-2-enamide.

Molecular Properties

Compound Name(Z)-N-[1-(1-dodecylbenzimidazol-2-yl)ethyl]-3-phenylprop-2-enamide
PubChem CID16970279
Molecular FormulaC30H41N3O
Molecular Weight459.68 g/mol
Exact Mass459.32
IUPAC Name(Z)-N-[1-(1-dodecylbenzimidazol-2-yl)ethyl]-3-phenylprop-2-enamide
SMILESCCCCCCCCCCCCn1c(C(C)NC(=O)/C=C\c2ccccc2)nc2ccccc21
InChIInChI=1S/C30H41N3O/c1-3-4-5-6-7-8-9-10-11-17-24-33-28-21-16-15-20-27(28)32-30(33)25(2)31-29(34)23-22-26-18-13-12-14-19-26/h12-16,18-23,25H,3-11,17,24H2,1-2H3,(H,31,34)/b23-22-
InChIKeyFHJOIPFLNVUEBZ-FCQUAONHSA-N
XLogP7.85
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds15
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500459.68
LogP ≤ 57.85
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

(Z)-N-[1-(1-butylbenzimidazol-2-yl)ethyl]-3-phenylprop-2-enamide
CID 16970269
(Z)-N-[1-[1-[4-(2-methoxyphenoxy)butyl]benzimidazol-2-yl]ethyl]-3-phenylprop-2-enamide
CID 16970375
(Z)-N-[1-[1-[4-(2-chlorophenoxy)butyl]benzimidazol-2-yl]ethyl]-3-phenylprop-2-enamide
CID 16970378
(Z)-3-phenyl-N-[1-[1-[4-(4-propan-2-ylphenoxy)butyl]benzimidazol-2-yl]ethyl]prop-2-enamide
CID 16970387
N-[1-(1-undecylbenzimidazol-2-yl)ethyl]propanamide
CID 16968572
(Z)-N-[1-[1-[3-(4-tert-butylphenoxy)propyl]benzimidazol-2-yl]ethyl]-3-phenylprop-2-enamide
CID 16970360
(Z)-N-[1-[1-[3-(2,3-dimethylphenoxy)propyl]benzimidazol-2-yl]ethyl]-3-phenylprop-2-enamide
CID 16970339
N-[(1R)-1-(1-pentylbenzimidazol-2-yl)ethyl]acetamide
CID 7023918
propan-2-yl 2-[2-[1-[[(Z)-3-phenylprop-2-enoyl]amino]ethyl]benzimidazol-1-yl]acetate
CID 16970414
(Z)-N-[1-[1-[(2-fluorophenyl)methyl]benzimidazol-2-yl]ethyl]-3-phenylprop-2-enamide
CID 16970291
N-[(1S)-1-(1-pentylbenzimidazol-2-yl)ethyl]butanamide
CID 7023923
(E)-3-phenyl-N-[2-(1-undecylbenzimidazol-2-yl)ethyl]prop-2-enamide
CID 18889083

Frequently Asked Questions

What is the IUPAC name of (Z)-N-[1-(1-dodecylbenzimidazol-2-yl)ethyl]-3-phenylprop-2-enamide?
The IUPAC name of (Z)-N-[1-(1-dodecylbenzimidazol-2-yl)ethyl]-3-phenylprop-2-enamide (CID 16970279) is (Z)-N-[1-(1-dodecylbenzimidazol-2-yl)ethyl]-3-phenylprop-2-enamide.
What is the SMILES notation for (Z)-N-[1-(1-dodecylbenzimidazol-2-yl)ethyl]-3-phenylprop-2-enamide?
The canonical SMILES for (Z)-N-[1-(1-dodecylbenzimidazol-2-yl)ethyl]-3-phenylprop-2-enamide is CCCCCCCCCCCCn1c(C(C)NC(=O)/C=C\c2ccccc2)nc2ccccc21.
What is the InChIKey of (Z)-N-[1-(1-dodecylbenzimidazol-2-yl)ethyl]-3-phenylprop-2-enamide?
The InChIKey is FHJOIPFLNVUEBZ-FCQUAONHSA-N. The full InChI is InChI=1S/C30H41N3O/c1-3-4-5-6-7-8-9-10-11-17-24-33-28-21-16-15-20-27(28)32-30(33)25(2)31-29(34)23-22-26-18-13-12-14-19-26/h12-16,18-23,25H,3-11,17,24H2,1-2H3,(H,31,34)/b23-22-.
What are the key properties of (Z)-N-[1-(1-dodecylbenzimidazol-2-yl)ethyl]-3-phenylprop-2-enamide?
(Z)-N-[1-(1-dodecylbenzimidazol-2-yl)ethyl]-3-phenylprop-2-enamide has a molecular weight of 459.68 g/mol, XLogP of 7.85, 15 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-N-[1-(1-dodecylbenzimidazol-2-yl)ethyl]-3-phenylprop-2-enamide is sourced from PubChem (CID 16970279), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).