N-[3-(1-hexylbenzimidazol-2-yl)propyl]-2-methylprop-2-enamide

C20H29N3O — CID 16986870

IUPACN-[3-(1-hexylbenzimidazol-2-yl)propyl]-2-methylprop-2-enamide
SMILESC=C(C)C(=O)NCCCc1nc2ccccc2n1CCCCCC
InChIInChI=1S/C20H29N3O/c1-4-5-6-9-15-23-18-12-8-7-11-17(18)22-19(23)13-10-14-21-20(24)16(2)3/h7-8,11-12H,2,4-6,9-10,13-15H2,1,3H3,(H,21,24)
InChIKeyXKWYOPSTHANFHD-UHFFFAOYSA-N
MW327.47 g/mol
LogP4.24
Rot. Bonds10

About N-[3-(1-hexylbenzimidazol-2-yl)propyl]-2-methylprop-2-enamide

N-[3-(1-hexylbenzimidazol-2-yl)propyl]-2-methylprop-2-enamide (PubChem CID 16986870) has the molecular formula C20H29N3O and a molecular weight of 327.47 g/mol. Its IUPAC name is N-[3-(1-hexylbenzimidazol-2-yl)propyl]-2-methylprop-2-enamide.

Molecular Properties

Compound NameN-[3-(1-hexylbenzimidazol-2-yl)propyl]-2-methylprop-2-enamide
PubChem CID16986870
Molecular FormulaC20H29N3O
Molecular Weight327.47 g/mol
Exact Mass327.23
IUPAC NameN-[3-(1-hexylbenzimidazol-2-yl)propyl]-2-methylprop-2-enamide
SMILESC=C(C)C(=O)NCCCc1nc2ccccc2n1CCCCCC
InChIInChI=1S/C20H29N3O/c1-4-5-6-9-15-23-18-12-8-7-11-17(18)22-19(23)13-10-14-21-20(24)16(2)3/h7-8,11-12H,2,4-6,9-10,13-15H2,1,3H3,(H,21,24)
InChIKeyXKWYOPSTHANFHD-UHFFFAOYSA-N
XLogP4.24
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.47
LogP ≤ 54.24
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-decylbenzimidazol-2-yl)pentyl]-2-methylprop-2-enamide
CID 16992361
2-methyl-N-[5-(1-undecylbenzimidazol-2-yl)pentyl]prop-2-enamide
CID 16992362
N-[3-(1-heptylbenzimidazol-2-yl)propyl]acetamide
CID 16980528
N-[(1-dodecylbenzimidazol-2-yl)methyl]-2-methylprop-2-enamide
CID 16972370
N-[(1-heptylbenzimidazol-2-yl)methyl]-2-methylprop-2-enamide
CID 16972365
N-[3-(1-ethylbenzimidazol-2-yl)propyl]-2-methylprop-2-enamide
CID 16986858
N-[3-(1-decylbenzimidazol-2-yl)propyl]prop-2-enamide
CID 16986712
N-[3-(1-heptylbenzimidazol-2-yl)propyl]prop-2-enamide
CID 16986709
2-methyl-N-[3-(1-undecylbenzimidazol-2-yl)propyl]propanamide
CID 16980820
N-[3-(1-hexylbenzimidazol-2-yl)propyl]-2-methylpropanamide
CID 18811165
N-[3-(1-heptylbenzimidazol-2-yl)propyl]-2-methylpropanamide
CID 18811164
N-[3-(1-undecylbenzimidazol-2-yl)propyl]benzamide
CID 16982202

Frequently Asked Questions

What is the IUPAC name of N-[3-(1-hexylbenzimidazol-2-yl)propyl]-2-methylprop-2-enamide?
The IUPAC name of N-[3-(1-hexylbenzimidazol-2-yl)propyl]-2-methylprop-2-enamide (CID 16986870) is N-[3-(1-hexylbenzimidazol-2-yl)propyl]-2-methylprop-2-enamide.
What is the SMILES notation for N-[3-(1-hexylbenzimidazol-2-yl)propyl]-2-methylprop-2-enamide?
The canonical SMILES for N-[3-(1-hexylbenzimidazol-2-yl)propyl]-2-methylprop-2-enamide is C=C(C)C(=O)NCCCc1nc2ccccc2n1CCCCCC.
What is the InChIKey of N-[3-(1-hexylbenzimidazol-2-yl)propyl]-2-methylprop-2-enamide?
The InChIKey is XKWYOPSTHANFHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H29N3O/c1-4-5-6-9-15-23-18-12-8-7-11-17(18)22-19(23)13-10-14-21-20(24)16(2)3/h7-8,11-12H,2,4-6,9-10,13-15H2,1,3H3,(H,21,24).
What are the key properties of N-[3-(1-hexylbenzimidazol-2-yl)propyl]-2-methylprop-2-enamide?
N-[3-(1-hexylbenzimidazol-2-yl)propyl]-2-methylprop-2-enamide has a molecular weight of 327.47 g/mol, XLogP of 4.24, 10 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(1-hexylbenzimidazol-2-yl)propyl]-2-methylprop-2-enamide is sourced from PubChem (CID 16986870), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).