N-[3-(1-prop-2-enylbenzimidazol-2-yl)propyl]cyclopropanecarboxamide

C17H21N3O — CID 16981612

IUPACN-[3-(1-prop-2-enylbenzimidazol-2-yl)propyl]cyclopropanecarboxamide
SMILESC=CCn1c(CCCNC(=O)C2CC2)nc2ccccc21
InChIInChI=1S/C17H21N3O/c1-2-12-20-15-7-4-3-6-14(15)19-16(20)8-5-11-18-17(21)13-9-10-13/h2-4,6-7,13H,1,5,8-12H2,(H,18,21)
InChIKeyHJRDOIGYBODVGI-UHFFFAOYSA-N
MW283.38 g/mol
LogP2.68
Rot. Bonds7

About N-[3-(1-prop-2-enylbenzimidazol-2-yl)propyl]cyclopropanecarboxamide

N-[3-(1-prop-2-enylbenzimidazol-2-yl)propyl]cyclopropanecarboxamide (PubChem CID 16981612) has the molecular formula C17H21N3O and a molecular weight of 283.38 g/mol. Its IUPAC name is N-[3-(1-prop-2-enylbenzimidazol-2-yl)propyl]cyclopropanecarboxamide.

Molecular Properties

Compound NameN-[3-(1-prop-2-enylbenzimidazol-2-yl)propyl]cyclopropanecarboxamide
PubChem CID16981612
Molecular FormulaC17H21N3O
Molecular Weight283.38 g/mol
Exact Mass283.17
IUPAC NameN-[3-(1-prop-2-enylbenzimidazol-2-yl)propyl]cyclopropanecarboxamide
SMILESC=CCn1c(CCCNC(=O)C2CC2)nc2ccccc21
InChIInChI=1S/C17H21N3O/c1-2-12-20-15-7-4-3-6-14(15)19-16(20)8-5-11-18-17(21)13-9-10-13/h2-4,6-7,13H,1,5,8-12H2,(H,18,21)
InChIKeyHJRDOIGYBODVGI-UHFFFAOYSA-N
XLogP2.68
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.38
LogP ≤ 52.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-[3-(1-prop-2-enylbenzimidazol-2-yl)propyl]prop-2-enamide
CID 16986702
N-[3-(1-heptylbenzimidazol-2-yl)propyl]cyclopropanecarboxamide
CID 16981619
N-[3-(1-decylbenzimidazol-2-yl)propyl]cyclopropanecarboxamide
CID 16981622
N-[3-[1-[4-(2-prop-2-enylphenoxy)butyl]benzimidazol-2-yl]propyl]cyclopropanecarboxamide
CID 16981719
N-[5-[1-(2-bromoprop-2-enyl)benzimidazol-2-yl]pentyl]cyclopropanecarboxamide
CID 16989110
N-[3-[1-(2-oxo-2-piperidin-1-ylethyl)benzimidazol-2-yl]propyl]cyclopropanecarboxamide
CID 16981751
N-[3-[1-[(2,6-dichlorophenyl)methyl]benzimidazol-2-yl]propyl]cyclopropanecarboxamide
CID 16981634
N-[3-[1-(2-anilino-2-oxoethyl)benzimidazol-2-yl]propyl]cyclopropanecarboxamide
CID 17031298
N-[3-[1-[(4-fluorophenyl)methyl]benzimidazol-2-yl]propyl]cyclopropanecarboxamide
CID 16981643
N-[3-[1-[2-(tert-butylamino)-2-oxoethyl]benzimidazol-2-yl]propyl]cyclopropanecarboxamide
CID 17031290
N-[3-(1-prop-2-ynylbenzimidazol-2-yl)propyl]cyclohexanecarboxamide
CID 16981538
N-[3-[1-(2-oxo-2-piperidin-1-ylethyl)benzimidazol-2-yl]propyl]cyclohexanecarboxamide
CID 16981590

Frequently Asked Questions

What is the IUPAC name of N-[3-(1-prop-2-enylbenzimidazol-2-yl)propyl]cyclopropanecarboxamide?
The IUPAC name of N-[3-(1-prop-2-enylbenzimidazol-2-yl)propyl]cyclopropanecarboxamide (CID 16981612) is N-[3-(1-prop-2-enylbenzimidazol-2-yl)propyl]cyclopropanecarboxamide.
What is the SMILES notation for N-[3-(1-prop-2-enylbenzimidazol-2-yl)propyl]cyclopropanecarboxamide?
The canonical SMILES for N-[3-(1-prop-2-enylbenzimidazol-2-yl)propyl]cyclopropanecarboxamide is C=CCn1c(CCCNC(=O)C2CC2)nc2ccccc21.
What is the InChIKey of N-[3-(1-prop-2-enylbenzimidazol-2-yl)propyl]cyclopropanecarboxamide?
The InChIKey is HJRDOIGYBODVGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N3O/c1-2-12-20-15-7-4-3-6-14(15)19-16(20)8-5-11-18-17(21)13-9-10-13/h2-4,6-7,13H,1,5,8-12H2,(H,18,21).
What are the key properties of N-[3-(1-prop-2-enylbenzimidazol-2-yl)propyl]cyclopropanecarboxamide?
N-[3-(1-prop-2-enylbenzimidazol-2-yl)propyl]cyclopropanecarboxamide has a molecular weight of 283.38 g/mol, XLogP of 2.68, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(1-prop-2-enylbenzimidazol-2-yl)propyl]cyclopropanecarboxamide is sourced from PubChem (CID 16981612), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).