3-[1-[3-(diethylamino)propyl]benzimidazol-2-yl]-N-methylbenzamide

C22H28N4O — CID 175453655

IUPAC3-[1-[3-(diethylamino)propyl]benzimidazol-2-yl]-N-methylbenzamide
SMILESCCN(CC)CCCn1c(-c2cccc(C(=O)NC)c2)nc2ccccc21
InChIInChI=1S/C22H28N4O/c1-4-25(5-2)14-9-15-26-20-13-7-6-12-19(20)24-21(26)17-10-8-11-18(16-17)22(27)23-3/h6-8,10-13,16H,4-5,9,14-15H2,1-3H3,(H,23,27)
InChIKeyDELGHIXAUHHEIF-UHFFFAOYSA-N
MW364.49 g/mol
LogP3.79
Rot. Bonds8

About 3-[1-[3-(diethylamino)propyl]benzimidazol-2-yl]-N-methylbenzamide

3-[1-[3-(diethylamino)propyl]benzimidazol-2-yl]-N-methylbenzamide (PubChem CID 175453655) has the molecular formula C22H28N4O and a molecular weight of 364.49 g/mol. Its IUPAC name is 3-[1-[3-(diethylamino)propyl]benzimidazol-2-yl]-N-methylbenzamide.

Molecular Properties

Compound Name3-[1-[3-(diethylamino)propyl]benzimidazol-2-yl]-N-methylbenzamide
PubChem CID175453655
Molecular FormulaC22H28N4O
Molecular Weight364.49 g/mol
Exact Mass364.23
IUPAC Name3-[1-[3-(diethylamino)propyl]benzimidazol-2-yl]-N-methylbenzamide
SMILESCCN(CC)CCCn1c(-c2cccc(C(=O)NC)c2)nc2ccccc21
InChIInChI=1S/C22H28N4O/c1-4-25(5-2)14-9-15-26-20-13-7-6-12-19(20)24-21(26)17-10-8-11-18(16-17)22(27)23-3/h6-8,10-13,16H,4-5,9,14-15H2,1-3H3,(H,23,27)
InChIKeyDELGHIXAUHHEIF-UHFFFAOYSA-N
XLogP3.79
TPSA50.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.49
LogP ≤ 53.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N,N-diethyl-3-[2-(3-pyrrolidin-1-ylphenyl)benzimidazol-1-yl]propan-1-amine
CID 175453548
N,N-diethyl-3-[2-(4-ethylphenyl)benzimidazol-1-yl]propan-1-amine
CID 175453602
2-(3-methylphenyl)-1-octadecylbenzimidazole
CID 17000753
4-[2-(3-methylphenyl)benzimidazol-1-yl]butanoic acid
CID 82149999
3-[2-(chloromethyl)benzimidazol-1-yl]-N,N-diethylpropan-1-amine
CID 29075881
3-[3-(diethylamino)propyl]-2-phenylquinazolin-4-one
CID 23736145
2-(3-chlorophenyl)-1-octylbenzimidazole
CID 17001958
3-[2-[4-[3-(diethylamino)propylcarbamoyl]anilino]benzimidazol-1-yl]-N-methylbenzamide
CID 73051934
2-[3,5-bis(1-decylbenzimidazol-2-yl)phenyl]-1-decylbenzimidazole
CID 102531556
2-(3-methoxyphenyl)-1-pentylbenzimidazole
CID 17001673
3-(1-benzylbenzimidazol-2-yl)-N-(2-phenylethyl)benzamide
CID 90040181
N,N-diethyl-2-[2-(4-methoxyphenyl)benzimidazol-1-yl]ethanamine
CID 21391

Frequently Asked Questions

What is the IUPAC name of 3-[1-[3-(diethylamino)propyl]benzimidazol-2-yl]-N-methylbenzamide?
The IUPAC name of 3-[1-[3-(diethylamino)propyl]benzimidazol-2-yl]-N-methylbenzamide (CID 175453655) is 3-[1-[3-(diethylamino)propyl]benzimidazol-2-yl]-N-methylbenzamide.
What is the SMILES notation for 3-[1-[3-(diethylamino)propyl]benzimidazol-2-yl]-N-methylbenzamide?
The canonical SMILES for 3-[1-[3-(diethylamino)propyl]benzimidazol-2-yl]-N-methylbenzamide is CCN(CC)CCCn1c(-c2cccc(C(=O)NC)c2)nc2ccccc21.
What is the InChIKey of 3-[1-[3-(diethylamino)propyl]benzimidazol-2-yl]-N-methylbenzamide?
The InChIKey is DELGHIXAUHHEIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H28N4O/c1-4-25(5-2)14-9-15-26-20-13-7-6-12-19(20)24-21(26)17-10-8-11-18(16-17)22(27)23-3/h6-8,10-13,16H,4-5,9,14-15H2,1-3H3,(H,23,27).
What are the key properties of 3-[1-[3-(diethylamino)propyl]benzimidazol-2-yl]-N-methylbenzamide?
3-[1-[3-(diethylamino)propyl]benzimidazol-2-yl]-N-methylbenzamide has a molecular weight of 364.49 g/mol, XLogP of 3.79, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-[3-(diethylamino)propyl]benzimidazol-2-yl]-N-methylbenzamide is sourced from PubChem (CID 175453655), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).