N-[[1-(2-methoxyethyl)benzimidazol-2-yl]methyl]butanamide

C15H21N3O2 — CID 16968967

IUPACN-[[1-(2-methoxyethyl)benzimidazol-2-yl]methyl]butanamide
SMILESCCCC(=O)NCc1nc2ccccc2n1CCOC
InChIInChI=1S/C15H21N3O2/c1-3-6-15(19)16-11-14-17-12-7-4-5-8-13(12)18(14)9-10-20-2/h4-5,7-8H,3,6,9-11H2,1-2H3,(H,16,19)
InChIKeyMEUYEAXWDMMFJH-UHFFFAOYSA-N
MW275.35 g/mol
LogP2.10
Rot. Bonds7

About N-[[1-(2-methoxyethyl)benzimidazol-2-yl]methyl]butanamide

N-[[1-(2-methoxyethyl)benzimidazol-2-yl]methyl]butanamide (PubChem CID 16968967) has the molecular formula C15H21N3O2 and a molecular weight of 275.35 g/mol. Its IUPAC name is N-[[1-(2-methoxyethyl)benzimidazol-2-yl]methyl]butanamide.

Molecular Properties

Compound NameN-[[1-(2-methoxyethyl)benzimidazol-2-yl]methyl]butanamide
PubChem CID16968967
Molecular FormulaC15H21N3O2
Molecular Weight275.35 g/mol
Exact Mass275.16
IUPAC NameN-[[1-(2-methoxyethyl)benzimidazol-2-yl]methyl]butanamide
SMILESCCCC(=O)NCc1nc2ccccc2n1CCOC
InChIInChI=1S/C15H21N3O2/c1-3-6-15(19)16-11-14-17-12-7-4-5-8-13(12)18(14)9-10-20-2/h4-5,7-8H,3,6,9-11H2,1-2H3,(H,16,19)
InChIKeyMEUYEAXWDMMFJH-UHFFFAOYSA-N
XLogP2.10
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.35
LogP ≤ 52.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-[1-(2-methoxyethyl)benzimidazol-2-yl]ethyl]butanamide
CID 16974505
N-[(1-hexadecylbenzimidazol-2-yl)methyl]butanamide
CID 16968866
N-[[1-[3-(2-methoxyphenoxy)propyl]benzimidazol-2-yl]methyl]butanamide
CID 16968923
N-[[1-[3-(2,6-dimethylphenoxy)propyl]benzimidazol-2-yl]methyl]butanamide
CID 16968918
4-bromo-N-[[1-(2-methoxyethyl)benzimidazol-2-yl]methyl]benzamide
CID 17009267
N-[(1-pentylbenzimidazol-2-yl)methyl]-3-phenylpropanamide
CID 16970596
N-[2-[1-(2-phenoxyethyl)benzimidazol-2-yl]ethyl]butanamide
CID 16974426
N-[[1-(naphthalen-1-ylmethyl)benzimidazol-2-yl]methyl]butanamide
CID 16968882
N-[[1-[2-(tert-butylamino)-2-oxoethyl]benzimidazol-2-yl]methyl]butanamide
CID 17028956
3,5-diamino-6-chloro-N-[[1-(2-methoxyethyl)benzimidazol-2-yl]methyl]pyrazine-2-carboxamide
CID 87324506
N-[[1-[4-(4-chloro-3-methylphenoxy)butyl]benzimidazol-2-yl]methyl]butanamide
CID 16968960
2-(4-phenylphenyl)-N-[(1-propylbenzimidazol-2-yl)methyl]acetamide
CID 16971391

Frequently Asked Questions

What is the IUPAC name of N-[[1-(2-methoxyethyl)benzimidazol-2-yl]methyl]butanamide?
The IUPAC name of N-[[1-(2-methoxyethyl)benzimidazol-2-yl]methyl]butanamide (CID 16968967) is N-[[1-(2-methoxyethyl)benzimidazol-2-yl]methyl]butanamide.
What is the SMILES notation for N-[[1-(2-methoxyethyl)benzimidazol-2-yl]methyl]butanamide?
The canonical SMILES for N-[[1-(2-methoxyethyl)benzimidazol-2-yl]methyl]butanamide is CCCC(=O)NCc1nc2ccccc2n1CCOC.
What is the InChIKey of N-[[1-(2-methoxyethyl)benzimidazol-2-yl]methyl]butanamide?
The InChIKey is MEUYEAXWDMMFJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3O2/c1-3-6-15(19)16-11-14-17-12-7-4-5-8-13(12)18(14)9-10-20-2/h4-5,7-8H,3,6,9-11H2,1-2H3,(H,16,19).
What are the key properties of N-[[1-(2-methoxyethyl)benzimidazol-2-yl]methyl]butanamide?
N-[[1-(2-methoxyethyl)benzimidazol-2-yl]methyl]butanamide has a molecular weight of 275.35 g/mol, XLogP of 2.10, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-(2-methoxyethyl)benzimidazol-2-yl]methyl]butanamide is sourced from PubChem (CID 16968967), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).