N-[5-[1-[(2-methylphenyl)methyl]benzimidazol-2-yl]pentyl]prop-2-enamide

C23H27N3O — CID 16992206

IUPACN-[5-[1-[(2-methylphenyl)methyl]benzimidazol-2-yl]pentyl]prop-2-enamide
SMILESC=CC(=O)NCCCCCc1nc2ccccc2n1Cc1ccccc1C
InChIInChI=1S/C23H27N3O/c1-3-23(27)24-16-10-4-5-15-22-25-20-13-8-9-14-21(20)26(22)17-19-12-7-6-11-18(19)2/h3,6-9,11-14H,1,4-5,10,15-17H2,2H3,(H,24,27)
InChIKeyPEINRCVWFNMVNQ-UHFFFAOYSA-N
MW361.49 g/mol
LogP4.41
Rot. Bonds9

About N-[5-[1-[(2-methylphenyl)methyl]benzimidazol-2-yl]pentyl]prop-2-enamide

N-[5-[1-[(2-methylphenyl)methyl]benzimidazol-2-yl]pentyl]prop-2-enamide (PubChem CID 16992206) has the molecular formula C23H27N3O and a molecular weight of 361.49 g/mol. Its IUPAC name is N-[5-[1-[(2-methylphenyl)methyl]benzimidazol-2-yl]pentyl]prop-2-enamide.

Molecular Properties

Compound NameN-[5-[1-[(2-methylphenyl)methyl]benzimidazol-2-yl]pentyl]prop-2-enamide
PubChem CID16992206
Molecular FormulaC23H27N3O
Molecular Weight361.49 g/mol
Exact Mass361.22
IUPAC NameN-[5-[1-[(2-methylphenyl)methyl]benzimidazol-2-yl]pentyl]prop-2-enamide
SMILESC=CC(=O)NCCCCCc1nc2ccccc2n1Cc1ccccc1C
InChIInChI=1S/C23H27N3O/c1-3-23(27)24-16-10-4-5-15-22-25-20-13-8-9-14-21(20)26(22)17-19-12-7-6-11-18(19)2/h3,6-9,11-14H,1,4-5,10,15-17H2,2H3,(H,24,27)
InChIKeyPEINRCVWFNMVNQ-UHFFFAOYSA-N
XLogP4.41
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.49
LogP ≤ 54.41
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-[3-[1-[(2-methylphenyl)methyl]benzimidazol-2-yl]propyl]prop-2-enamide
CID 16986719
N-[5-[1-[(2-methylphenyl)methyl]benzimidazol-2-yl]pentyl]-2-phenylacetamide
CID 16993340
N-[5-(1-heptylbenzimidazol-2-yl)pentyl]prop-2-enamide
CID 16992196
ethyl 2-[2-[5-(prop-2-enoylamino)pentyl]benzimidazol-1-yl]acetate
CID 16992335
N-[5-[1-[(2-methylphenyl)methyl]benzimidazol-2-yl]pentyl]-3-phenylpropanamide
CID 16992530
(E)-N-[3-[1-[(2-methylphenyl)methyl]benzimidazol-2-yl]propyl]-3-phenylprop-2-enamide
CID 18888926
N-[3-(1-ethylbenzimidazol-2-yl)propyl]prop-2-enamide
CID 16986696
2,4-dimethyl-N-[5-[1-[(2-methylphenyl)methyl]benzimidazol-2-yl]pentyl]benzamide
CID 16989614
2-methoxy-N-[5-[1-[(2-methylphenyl)methyl]benzimidazol-2-yl]pentyl]benzamide
CID 16990100
N-[5-[1-(3-phenylpropyl)benzimidazol-2-yl]pentyl]prop-2-enamide
CID 16992231
N-[3-(1-heptylbenzimidazol-2-yl)propyl]prop-2-enamide
CID 16986709
N-[3-(1-decylbenzimidazol-2-yl)propyl]prop-2-enamide
CID 16986712

Frequently Asked Questions

What is the IUPAC name of N-[5-[1-[(2-methylphenyl)methyl]benzimidazol-2-yl]pentyl]prop-2-enamide?
The IUPAC name of N-[5-[1-[(2-methylphenyl)methyl]benzimidazol-2-yl]pentyl]prop-2-enamide (CID 16992206) is N-[5-[1-[(2-methylphenyl)methyl]benzimidazol-2-yl]pentyl]prop-2-enamide.
What is the SMILES notation for N-[5-[1-[(2-methylphenyl)methyl]benzimidazol-2-yl]pentyl]prop-2-enamide?
The canonical SMILES for N-[5-[1-[(2-methylphenyl)methyl]benzimidazol-2-yl]pentyl]prop-2-enamide is C=CC(=O)NCCCCCc1nc2ccccc2n1Cc1ccccc1C.
What is the InChIKey of N-[5-[1-[(2-methylphenyl)methyl]benzimidazol-2-yl]pentyl]prop-2-enamide?
The InChIKey is PEINRCVWFNMVNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H27N3O/c1-3-23(27)24-16-10-4-5-15-22-25-20-13-8-9-14-21(20)26(22)17-19-12-7-6-11-18(19)2/h3,6-9,11-14H,1,4-5,10,15-17H2,2H3,(H,24,27).
What are the key properties of N-[5-[1-[(2-methylphenyl)methyl]benzimidazol-2-yl]pentyl]prop-2-enamide?
N-[5-[1-[(2-methylphenyl)methyl]benzimidazol-2-yl]pentyl]prop-2-enamide has a molecular weight of 361.49 g/mol, XLogP of 4.41, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-[1-[(2-methylphenyl)methyl]benzimidazol-2-yl]pentyl]prop-2-enamide is sourced from PubChem (CID 16992206), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).