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

C21H25N3O2 — CID 16968736

IUPACN-[1-[1-[(2-methoxyphenyl)methyl]benzimidazol-2-yl]ethyl]butanamide
SMILESCCCC(=O)NC(C)c1nc2ccccc2n1Cc1ccccc1OC
InChIInChI=1S/C21H25N3O2/c1-4-9-20(25)22-15(2)21-23-17-11-6-7-12-18(17)24(21)14-16-10-5-8-13-19(16)26-3/h5-8,10-13,15H,4,9,14H2,1-3H3,(H,22,25)
InChIKeyMZPDGBBIEMMTJJ-UHFFFAOYSA-N
MW351.45 g/mol
LogP4.07
Rot. Bonds7

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

N-[1-[1-[(2-methoxyphenyl)methyl]benzimidazol-2-yl]ethyl]butanamide (PubChem CID 16968736) has the molecular formula C21H25N3O2 and a molecular weight of 351.45 g/mol. Its IUPAC name is N-[1-[1-[(2-methoxyphenyl)methyl]benzimidazol-2-yl]ethyl]butanamide.

Molecular Properties

Compound NameN-[1-[1-[(2-methoxyphenyl)methyl]benzimidazol-2-yl]ethyl]butanamide
PubChem CID16968736
Molecular FormulaC21H25N3O2
Molecular Weight351.45 g/mol
Exact Mass351.19
IUPAC NameN-[1-[1-[(2-methoxyphenyl)methyl]benzimidazol-2-yl]ethyl]butanamide
SMILESCCCC(=O)NC(C)c1nc2ccccc2n1Cc1ccccc1OC
InChIInChI=1S/C21H25N3O2/c1-4-9-20(25)22-15(2)21-23-17-11-6-7-12-18(17)24(21)14-16-10-5-8-13-19(16)26-3/h5-8,10-13,15H,4,9,14H2,1-3H3,(H,22,25)
InChIKeyMZPDGBBIEMMTJJ-UHFFFAOYSA-N
XLogP4.07
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.45
LogP ≤ 54.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[1-[1-[(2-methoxyphenyl)methyl]benzimidazol-2-yl]ethyl]prop-2-enamide
CID 16969979
(1R)-1-[1-[(2-methoxyphenyl)methyl]benzimidazol-2-yl]ethanol
CID 755584
N-[[1-[(2-methoxyphenyl)methyl]benzimidazol-2-yl]methyl]propanamide
CID 17006062
N-[1-(1-phenacylbenzimidazol-2-yl)ethyl]butanamide
CID 16968848
N-[(1S)-1-(1-pentylbenzimidazol-2-yl)ethyl]butanamide
CID 7023923
N-[1-[1-(naphthalen-1-ylmethyl)benzimidazol-2-yl]ethyl]-3-phenylpropanamide
CID 16970466
N-[1-(1-ethylbenzimidazol-2-yl)ethyl]pentanamide
CID 60597479
2-(4-methoxyphenyl)-N-[1-(1-propylbenzimidazol-2-yl)ethyl]acetamide
CID 16972665
N-[1-[1-[2-(3-methoxyphenoxy)ethyl]benzimidazol-2-yl]ethyl]butanamide
CID 16968767
N-[(1R)-1-(1-propan-2-ylbenzimidazol-2-yl)ethyl]butanamide
CID 751172
N-[1-(1-propan-2-ylbenzimidazol-2-yl)ethyl]butanamide
CID 4592510
N-[(1S)-1-[1-(2-methylpropyl)benzimidazol-2-yl]ethyl]propanamide
CID 751204

Frequently Asked Questions

What is the IUPAC name of N-[1-[1-[(2-methoxyphenyl)methyl]benzimidazol-2-yl]ethyl]butanamide?
The IUPAC name of N-[1-[1-[(2-methoxyphenyl)methyl]benzimidazol-2-yl]ethyl]butanamide (CID 16968736) is N-[1-[1-[(2-methoxyphenyl)methyl]benzimidazol-2-yl]ethyl]butanamide.
What is the SMILES notation for N-[1-[1-[(2-methoxyphenyl)methyl]benzimidazol-2-yl]ethyl]butanamide?
The canonical SMILES for N-[1-[1-[(2-methoxyphenyl)methyl]benzimidazol-2-yl]ethyl]butanamide is CCCC(=O)NC(C)c1nc2ccccc2n1Cc1ccccc1OC.
What is the InChIKey of N-[1-[1-[(2-methoxyphenyl)methyl]benzimidazol-2-yl]ethyl]butanamide?
The InChIKey is MZPDGBBIEMMTJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25N3O2/c1-4-9-20(25)22-15(2)21-23-17-11-6-7-12-18(17)24(21)14-16-10-5-8-13-19(16)26-3/h5-8,10-13,15H,4,9,14H2,1-3H3,(H,22,25).
What are the key properties of N-[1-[1-[(2-methoxyphenyl)methyl]benzimidazol-2-yl]ethyl]butanamide?
N-[1-[1-[(2-methoxyphenyl)methyl]benzimidazol-2-yl]ethyl]butanamide has a molecular weight of 351.45 g/mol, XLogP of 4.07, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[1-[(2-methoxyphenyl)methyl]benzimidazol-2-yl]ethyl]butanamide is sourced from PubChem (CID 16968736), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).