N-[(1-butylbenzimidazol-2-yl)methyl]-2-ethylbutanamide

C18H27N3O — CID 17006351

IUPACN-[(1-butylbenzimidazol-2-yl)methyl]-2-ethylbutanamide
SMILESCCCCn1c(CNC(=O)C(CC)CC)nc2ccccc21
InChIInChI=1S/C18H27N3O/c1-4-7-12-21-16-11-9-8-10-15(16)20-17(21)13-19-18(22)14(5-2)6-3/h8-11,14H,4-7,12-13H2,1-3H3,(H,19,22)
InChIKeyXKQXJQGRGWVMOZ-UHFFFAOYSA-N
MW301.43 g/mol
LogP3.89
Rot. Bonds8

About N-[(1-butylbenzimidazol-2-yl)methyl]-2-ethylbutanamide

N-[(1-butylbenzimidazol-2-yl)methyl]-2-ethylbutanamide (PubChem CID 17006351) has the molecular formula C18H27N3O and a molecular weight of 301.43 g/mol. Its IUPAC name is N-[(1-butylbenzimidazol-2-yl)methyl]-2-ethylbutanamide.

Molecular Properties

Compound NameN-[(1-butylbenzimidazol-2-yl)methyl]-2-ethylbutanamide
PubChem CID17006351
Molecular FormulaC18H27N3O
Molecular Weight301.43 g/mol
Exact Mass301.22
IUPAC NameN-[(1-butylbenzimidazol-2-yl)methyl]-2-ethylbutanamide
SMILESCCCCn1c(CNC(=O)C(CC)CC)nc2ccccc21
InChIInChI=1S/C18H27N3O/c1-4-7-12-21-16-11-9-8-10-15(16)20-17(21)13-19-18(22)14(5-2)6-3/h8-11,14H,4-7,12-13H2,1-3H3,(H,19,22)
InChIKeyXKQXJQGRGWVMOZ-UHFFFAOYSA-N
XLogP3.89
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.43
LogP ≤ 53.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-ethyl-N-[(1-octadecylbenzimidazol-2-yl)methyl]butanamide
CID 17006363
2-ethyl-N-[[1-[4-(2-methylphenoxy)butyl]benzimidazol-2-yl]methyl]butanamide
CID 17006449
N-[(1-nonylbenzimidazol-2-yl)methyl]acetamide
CID 17005899
N-[(1-butylbenzimidazol-2-yl)methyl]-2-methylbenzamide
CID 17006780
N-[(1-hexadecylbenzimidazol-2-yl)methyl]butanamide
CID 16968866
2-ethyl-N-[[1-[2-(2-propan-2-ylphenoxy)ethyl]benzimidazol-2-yl]methyl]butanamide
CID 17006400
2-methyl-N-[(1-pentylbenzimidazol-2-yl)methyl]benzamide
CID 17006783
N-[[1-[(2-chlorophenyl)methyl]benzimidazol-2-yl]methyl]-2-ethylbutanamide
CID 17006374
N-[(1-butylbenzimidazol-2-yl)methyl]pyridine-3-carboxamide
CID 16963912
2-ethyl-N-[[1-[(4-fluorophenyl)methyl]benzimidazol-2-yl]methyl]butanamide
CID 17006380
N-[(1-octadecylbenzimidazol-2-yl)methyl]pyridine-4-carboxamide
CID 16965544
4-methyl-N-[(1-undecylbenzimidazol-2-yl)methyl]benzamide
CID 17007112

Frequently Asked Questions

What is the IUPAC name of N-[(1-butylbenzimidazol-2-yl)methyl]-2-ethylbutanamide?
The IUPAC name of N-[(1-butylbenzimidazol-2-yl)methyl]-2-ethylbutanamide (CID 17006351) is N-[(1-butylbenzimidazol-2-yl)methyl]-2-ethylbutanamide.
What is the SMILES notation for N-[(1-butylbenzimidazol-2-yl)methyl]-2-ethylbutanamide?
The canonical SMILES for N-[(1-butylbenzimidazol-2-yl)methyl]-2-ethylbutanamide is CCCCn1c(CNC(=O)C(CC)CC)nc2ccccc21.
What is the InChIKey of N-[(1-butylbenzimidazol-2-yl)methyl]-2-ethylbutanamide?
The InChIKey is XKQXJQGRGWVMOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27N3O/c1-4-7-12-21-16-11-9-8-10-15(16)20-17(21)13-19-18(22)14(5-2)6-3/h8-11,14H,4-7,12-13H2,1-3H3,(H,19,22).
What are the key properties of N-[(1-butylbenzimidazol-2-yl)methyl]-2-ethylbutanamide?
N-[(1-butylbenzimidazol-2-yl)methyl]-2-ethylbutanamide has a molecular weight of 301.43 g/mol, XLogP of 3.89, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-butylbenzimidazol-2-yl)methyl]-2-ethylbutanamide is sourced from PubChem (CID 17006351), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).