2-methyl-N-[3-(1-phenacylbenzimidazol-2-yl)propyl]prop-2-enamide

C22H23N3O2 — CID 16987013

IUPAC2-methyl-N-[3-(1-phenacylbenzimidazol-2-yl)propyl]prop-2-enamide
SMILESC=C(C)C(=O)NCCCc1nc2ccccc2n1CC(=O)c1ccccc1
InChIInChI=1S/C22H23N3O2/c1-16(2)22(27)23-14-8-13-21-24-18-11-6-7-12-19(18)25(21)15-20(26)17-9-4-3-5-10-17/h3-7,9-12H,1,8,13-15H2,2H3,(H,23,27)
InChIKeyMHJQTXQICIJSPR-UHFFFAOYSA-N
MW361.45 g/mol
LogP3.54
Rot. Bonds8

About 2-methyl-N-[3-(1-phenacylbenzimidazol-2-yl)propyl]prop-2-enamide

2-methyl-N-[3-(1-phenacylbenzimidazol-2-yl)propyl]prop-2-enamide (PubChem CID 16987013) has the molecular formula C22H23N3O2 and a molecular weight of 361.45 g/mol. Its IUPAC name is 2-methyl-N-[3-(1-phenacylbenzimidazol-2-yl)propyl]prop-2-enamide.

Molecular Properties

Compound Name2-methyl-N-[3-(1-phenacylbenzimidazol-2-yl)propyl]prop-2-enamide
PubChem CID16987013
Molecular FormulaC22H23N3O2
Molecular Weight361.45 g/mol
Exact Mass361.18
IUPAC Name2-methyl-N-[3-(1-phenacylbenzimidazol-2-yl)propyl]prop-2-enamide
SMILESC=C(C)C(=O)NCCCc1nc2ccccc2n1CC(=O)c1ccccc1
InChIInChI=1S/C22H23N3O2/c1-16(2)22(27)23-14-8-13-21-24-18-11-6-7-12-19(18)25(21)15-20(26)17-9-4-3-5-10-17/h3-7,9-12H,1,8,13-15H2,2H3,(H,23,27)
InChIKeyMHJQTXQICIJSPR-UHFFFAOYSA-N
XLogP3.54
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.45
LogP ≤ 53.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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-[3-(1-ethylbenzimidazol-2-yl)propyl]-2-methylprop-2-enamide
CID 16986858
ethyl 2-[2-[3-(2-methylprop-2-enoylamino)propyl]benzimidazol-1-yl]acetate
CID 16987010
N-[3-(1-hexylbenzimidazol-2-yl)propyl]-2-methylprop-2-enamide
CID 16986870
N-[2-[1-(2-bromoprop-2-enyl)benzimidazol-2-yl]ethyl]-2-methylprop-2-enamide
CID 16980366
N-[3-[1-(2-bromoprop-2-enyl)benzimidazol-2-yl]propyl]acetamide
CID 16980523
2-chloro-N-[3-(1-phenacylbenzimidazol-2-yl)propyl]benzamide
CID 16982819
(Z)-N-[3-(1-phenacylbenzimidazol-2-yl)propyl]-3-phenylprop-2-enamide
CID 16986215
N-[5-[1-[2-[di(propan-2-yl)amino]-2-oxoethyl]benzimidazol-2-yl]pentyl]-2-methylprop-2-enamide
CID 16992477
2-methyl-N-[5-(1-undecylbenzimidazol-2-yl)pentyl]prop-2-enamide
CID 16992362
N-[5-(1-decylbenzimidazol-2-yl)pentyl]-2-methylprop-2-enamide
CID 16992361
N-[3-[1-[2-[cyclohexyl(methyl)amino]-2-oxoethyl]benzimidazol-2-yl]propyl]-2-methylprop-2-enamide
CID 16986998
2-methyl-N-[2-[1-(3-phenylpropyl)benzimidazol-2-yl]ethyl]prop-2-enamide
CID 16980409

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[3-(1-phenacylbenzimidazol-2-yl)propyl]prop-2-enamide?
The IUPAC name of 2-methyl-N-[3-(1-phenacylbenzimidazol-2-yl)propyl]prop-2-enamide (CID 16987013) is 2-methyl-N-[3-(1-phenacylbenzimidazol-2-yl)propyl]prop-2-enamide.
What is the SMILES notation for 2-methyl-N-[3-(1-phenacylbenzimidazol-2-yl)propyl]prop-2-enamide?
The canonical SMILES for 2-methyl-N-[3-(1-phenacylbenzimidazol-2-yl)propyl]prop-2-enamide is C=C(C)C(=O)NCCCc1nc2ccccc2n1CC(=O)c1ccccc1.
What is the InChIKey of 2-methyl-N-[3-(1-phenacylbenzimidazol-2-yl)propyl]prop-2-enamide?
The InChIKey is MHJQTXQICIJSPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23N3O2/c1-16(2)22(27)23-14-8-13-21-24-18-11-6-7-12-19(18)25(21)15-20(26)17-9-4-3-5-10-17/h3-7,9-12H,1,8,13-15H2,2H3,(H,23,27).
What are the key properties of 2-methyl-N-[3-(1-phenacylbenzimidazol-2-yl)propyl]prop-2-enamide?
2-methyl-N-[3-(1-phenacylbenzimidazol-2-yl)propyl]prop-2-enamide has a molecular weight of 361.45 g/mol, XLogP of 3.54, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[3-(1-phenacylbenzimidazol-2-yl)propyl]prop-2-enamide is sourced from PubChem (CID 16987013), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).