N-[3-(1-ethylbenzimidazol-2-yl)propyl]-2-methylpropanamide

C16H23N3O — CID 4754827

IUPACN-[3-(1-ethylbenzimidazol-2-yl)propyl]-2-methylpropanamide
SMILESCCn1c(CCCNC(=O)C(C)C)nc2ccccc21
InChIInChI=1S/C16H23N3O/c1-4-19-14-9-6-5-8-13(14)18-15(19)10-7-11-17-16(20)12(2)3/h5-6,8-9,12H,4,7,10-11H2,1-3H3,(H,17,20)
InChIKeyMTRWBAZKSLUCER-UHFFFAOYSA-N
MW273.38 g/mol
LogP2.76
Rot. Bonds6

About N-[3-(1-ethylbenzimidazol-2-yl)propyl]-2-methylpropanamide

N-[3-(1-ethylbenzimidazol-2-yl)propyl]-2-methylpropanamide (PubChem CID 4754827) has the molecular formula C16H23N3O and a molecular weight of 273.38 g/mol. Its IUPAC name is N-[3-(1-ethylbenzimidazol-2-yl)propyl]-2-methylpropanamide.

Molecular Properties

Compound NameN-[3-(1-ethylbenzimidazol-2-yl)propyl]-2-methylpropanamide
PubChem CID4754827
Molecular FormulaC16H23N3O
Molecular Weight273.38 g/mol
Exact Mass273.18
IUPAC NameN-[3-(1-ethylbenzimidazol-2-yl)propyl]-2-methylpropanamide
SMILESCCn1c(CCCNC(=O)C(C)C)nc2ccccc21
InChIInChI=1S/C16H23N3O/c1-4-19-14-9-6-5-8-13(14)18-15(19)10-7-11-17-16(20)12(2)3/h5-6,8-9,12H,4,7,10-11H2,1-3H3,(H,17,20)
InChIKeyMTRWBAZKSLUCER-UHFFFAOYSA-N
XLogP2.76
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.38
LogP ≤ 52.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-methyl-N-[3-(1-undecylbenzimidazol-2-yl)propyl]propanamide
CID 16980820
N-[3-(1-heptylbenzimidazol-2-yl)propyl]-2-methylpropanamide
CID 18811164
N-[3-(1-hexylbenzimidazol-2-yl)propyl]-2-methylpropanamide
CID 18811165
N-[5-(1-hexadecylbenzimidazol-2-yl)pentyl]-2-methylpropanamide
CID 16988638
N-[3-(1-ethylbenzimidazol-2-yl)propyl]-2-(2-methylphenyl)acetamide
CID 16985019
N-[3-(1-ethylbenzimidazol-2-yl)propyl]-2-methylprop-2-enamide
CID 16986858
N-[3-[1-(2-anilino-2-oxoethyl)benzimidazol-2-yl]propyl]-2-methylpropanamide
CID 17031053
N-[3-[1-[(2,6-dichlorophenyl)methyl]benzimidazol-2-yl]propyl]-2-methylpropanamide
CID 16980824
N-[3-(1-ethylbenzimidazol-2-yl)propyl]prop-2-enamide
CID 16986696
(2R)-2-amino-N-[2-(1-ethylbenzimidazol-2-yl)ethyl]propanamide
CID 119866308
N-[3-(1-ethylbenzimidazol-2-yl)propyl]-2-methylbenzamide
CID 16982340
(E)-N-[5-(1-ethylbenzimidazol-2-yl)pentyl]but-2-enamide
CID 16992021

Frequently Asked Questions

What is the IUPAC name of N-[3-(1-ethylbenzimidazol-2-yl)propyl]-2-methylpropanamide?
The IUPAC name of N-[3-(1-ethylbenzimidazol-2-yl)propyl]-2-methylpropanamide (CID 4754827) is N-[3-(1-ethylbenzimidazol-2-yl)propyl]-2-methylpropanamide.
What is the SMILES notation for N-[3-(1-ethylbenzimidazol-2-yl)propyl]-2-methylpropanamide?
The canonical SMILES for N-[3-(1-ethylbenzimidazol-2-yl)propyl]-2-methylpropanamide is CCn1c(CCCNC(=O)C(C)C)nc2ccccc21.
What is the InChIKey of N-[3-(1-ethylbenzimidazol-2-yl)propyl]-2-methylpropanamide?
The InChIKey is MTRWBAZKSLUCER-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N3O/c1-4-19-14-9-6-5-8-13(14)18-15(19)10-7-11-17-16(20)12(2)3/h5-6,8-9,12H,4,7,10-11H2,1-3H3,(H,17,20).
What are the key properties of N-[3-(1-ethylbenzimidazol-2-yl)propyl]-2-methylpropanamide?
N-[3-(1-ethylbenzimidazol-2-yl)propyl]-2-methylpropanamide has a molecular weight of 273.38 g/mol, XLogP of 2.76, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(1-ethylbenzimidazol-2-yl)propyl]-2-methylpropanamide is sourced from PubChem (CID 4754827), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).