N-[2-(1-benzylbenzimidazol-2-yl)ethyl]-2-ethylbutanamide

C22H27N3O — CID 16974712

IUPACN-[2-(1-benzylbenzimidazol-2-yl)ethyl]-2-ethylbutanamide
SMILESCCC(CC)C(=O)NCCc1nc2ccccc2n1Cc1ccccc1
InChIInChI=1S/C22H27N3O/c1-3-18(4-2)22(26)23-15-14-21-24-19-12-8-9-13-20(19)25(21)16-17-10-6-5-7-11-17/h5-13,18H,3-4,14-16H2,1-2H3,(H,23,26)
InChIKeyDKNCTCOQGXENAF-UHFFFAOYSA-N
MW349.48 g/mol
LogP4.18
Rot. Bonds8

About N-[2-(1-benzylbenzimidazol-2-yl)ethyl]-2-ethylbutanamide

N-[2-(1-benzylbenzimidazol-2-yl)ethyl]-2-ethylbutanamide (PubChem CID 16974712) has the molecular formula C22H27N3O and a molecular weight of 349.48 g/mol. Its IUPAC name is N-[2-(1-benzylbenzimidazol-2-yl)ethyl]-2-ethylbutanamide.

Molecular Properties

Compound NameN-[2-(1-benzylbenzimidazol-2-yl)ethyl]-2-ethylbutanamide
PubChem CID16974712
Molecular FormulaC22H27N3O
Molecular Weight349.48 g/mol
Exact Mass349.22
IUPAC NameN-[2-(1-benzylbenzimidazol-2-yl)ethyl]-2-ethylbutanamide
SMILESCCC(CC)C(=O)NCCc1nc2ccccc2n1Cc1ccccc1
InChIInChI=1S/C22H27N3O/c1-3-18(4-2)22(26)23-15-14-21-24-19-12-8-9-13-20(19)25(21)16-17-10-6-5-7-11-17/h5-13,18H,3-4,14-16H2,1-2H3,(H,23,26)
InChIKeyDKNCTCOQGXENAF-UHFFFAOYSA-N
XLogP4.18
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.48
LogP ≤ 54.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-[1-[(2,6-dichlorophenyl)methyl]benzimidazol-2-yl]ethyl]-2-ethylbutanamide
CID 16974719
2-ethyl-N-[3-[1-[(4-methylphenyl)methyl]benzimidazol-2-yl]propyl]butanamide
CID 16980992
2-ethyl-N-[2-[1-(2-methylbutyl)benzimidazol-2-yl]ethyl]butanamide
CID 16974700
2-ethyl-N-[[1-[(4-fluorophenyl)methyl]benzimidazol-2-yl]methyl]butanamide
CID 17006380
2-ethyl-N-[2-[1-[(E)-3-phenylprop-2-enyl]benzimidazol-2-yl]ethyl]butanamide
CID 16974740
N-[2-(1-benzylbenzimidazol-2-yl)ethyl]-2-methoxyacetamide
CID 16974552
N-[2-[1-[(4-butan-2-ylphenyl)methyl]benzimidazol-2-yl]ethyl]benzamide
CID 16975742
2-ethyl-N-[[1-[(4-propan-2-ylphenyl)methyl]benzimidazol-2-yl]methyl]butanamide
CID 17006384
N-[[1-[(2-chlorophenyl)methyl]benzimidazol-2-yl]methyl]-2-ethylbutanamide
CID 17006374
N-[2-[1-[(4-bromophenyl)methyl]benzimidazol-2-yl]ethyl]-2-phenylacetamide
CID 16978942
N-[2-[1-[(4-fluorophenyl)methyl]benzimidazol-2-yl]ethyl]-2-methylpropanamide
CID 976977
N-[5-[1-[(2,6-dichlorophenyl)methyl]benzimidazol-2-yl]pentyl]-2-ethylbutanamide
CID 16988485

Frequently Asked Questions

What is the IUPAC name of N-[2-(1-benzylbenzimidazol-2-yl)ethyl]-2-ethylbutanamide?
The IUPAC name of N-[2-(1-benzylbenzimidazol-2-yl)ethyl]-2-ethylbutanamide (CID 16974712) is N-[2-(1-benzylbenzimidazol-2-yl)ethyl]-2-ethylbutanamide.
What is the SMILES notation for N-[2-(1-benzylbenzimidazol-2-yl)ethyl]-2-ethylbutanamide?
The canonical SMILES for N-[2-(1-benzylbenzimidazol-2-yl)ethyl]-2-ethylbutanamide is CCC(CC)C(=O)NCCc1nc2ccccc2n1Cc1ccccc1.
What is the InChIKey of N-[2-(1-benzylbenzimidazol-2-yl)ethyl]-2-ethylbutanamide?
The InChIKey is DKNCTCOQGXENAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H27N3O/c1-3-18(4-2)22(26)23-15-14-21-24-19-12-8-9-13-20(19)25(21)16-17-10-6-5-7-11-17/h5-13,18H,3-4,14-16H2,1-2H3,(H,23,26).
What are the key properties of N-[2-(1-benzylbenzimidazol-2-yl)ethyl]-2-ethylbutanamide?
N-[2-(1-benzylbenzimidazol-2-yl)ethyl]-2-ethylbutanamide has a molecular weight of 349.48 g/mol, XLogP of 4.18, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(1-benzylbenzimidazol-2-yl)ethyl]-2-ethylbutanamide is sourced from PubChem (CID 16974712), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).