N,N-diethyl-2-[2-(4-methoxyphenyl)benzimidazol-1-yl]ethanamine

C20H25N3O — CID 21391

IUPACN,N-diethyl-2-[2-(4-methoxyphenyl)benzimidazol-1-yl]ethanamine
SMILESCCN(CC)CCn1c(-c2ccc(OC)cc2)nc2ccccc21
InChIInChI=1S/C20H25N3O/c1-4-22(5-2)14-15-23-19-9-7-6-8-18(19)21-20(23)16-10-12-17(24-3)13-11-16/h6-13H,4-5,14-15H2,1-3H3
InChIKeyYLTOMFFHIPAEJR-UHFFFAOYSA-N
MW323.44 g/mol
LogP4.05
Rot. Bonds7

About N,N-diethyl-2-[2-(4-methoxyphenyl)benzimidazol-1-yl]ethanamine

N,N-diethyl-2-[2-(4-methoxyphenyl)benzimidazol-1-yl]ethanamine (PubChem CID 21391) has the molecular formula C20H25N3O and a molecular weight of 323.44 g/mol. Its IUPAC name is N,N-diethyl-2-[2-(4-methoxyphenyl)benzimidazol-1-yl]ethanamine.

Molecular Properties

Compound NameN,N-diethyl-2-[2-(4-methoxyphenyl)benzimidazol-1-yl]ethanamine
PubChem CID21391
Molecular FormulaC20H25N3O
Molecular Weight323.44 g/mol
Exact Mass323.20
IUPAC NameN,N-diethyl-2-[2-(4-methoxyphenyl)benzimidazol-1-yl]ethanamine
SMILESCCN(CC)CCn1c(-c2ccc(OC)cc2)nc2ccccc21
InChIInChI=1S/C20H25N3O/c1-4-22(5-2)14-15-23-19-9-7-6-8-18(19)21-20(23)16-10-12-17(24-3)13-11-16/h6-13H,4-5,14-15H2,1-3H3
InChIKeyYLTOMFFHIPAEJR-UHFFFAOYSA-N
XLogP4.05
TPSA30.29 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.44
LogP ≤ 54.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N,N-diethyl-3-[4-[1-[(E)-4-[2-(4-methoxyphenyl)benzimidazol-1-yl]but-2-enyl]benzimidazol-2-yl]phenoxy]propan-1-amine
CID 19938405
1-(2-ethoxyethyl)-2-(4-methoxyphenyl)benzimidazole
CID 3507993
N,N-diethyl-3-[2-(4-ethylphenyl)benzimidazol-1-yl]propan-1-amine
CID 175453602
5-[2-(4-methoxyphenyl)benzimidazol-1-yl]pentanoic acid
CID 57458903
1-[2-(4-methoxyphenoxy)ethyl]-2-phenylbenzimidazole
CID 17000523
3-[2-(4-methoxyphenyl)benzimidazol-1-yl]propanethioamide
CID 94756512
2-(4-methoxyphenyl)-1-(2-naphthalen-2-yloxyethyl)benzimidazole
CID 18879179
1-[3-(3,5-dimethylphenoxy)propyl]-2-(4-methoxyphenyl)benzimidazole
CID 17001345
N,N-diethyl-3-[4-[1-[(E)-4-(2-phenylbenzimidazol-1-yl)but-2-enyl]benzimidazol-2-yl]phenoxy]propan-1-amine
CID 15291585
1-[2-(diethylamino)ethyl]-N-[(2,4-dimethoxyphenyl)methyl]benzimidazol-2-amine
CID 3573876
2-(4-bromophenyl)-1-[3-(4-methoxyphenoxy)propyl]benzimidazole
CID 17001216
1-[3-(2,6-dimethylphenoxy)propyl]-2-(4-methoxyphenyl)benzimidazole
CID 17001335

Frequently Asked Questions

What is the IUPAC name of N,N-diethyl-2-[2-(4-methoxyphenyl)benzimidazol-1-yl]ethanamine?
The IUPAC name of N,N-diethyl-2-[2-(4-methoxyphenyl)benzimidazol-1-yl]ethanamine (CID 21391) is N,N-diethyl-2-[2-(4-methoxyphenyl)benzimidazol-1-yl]ethanamine.
What is the SMILES notation for N,N-diethyl-2-[2-(4-methoxyphenyl)benzimidazol-1-yl]ethanamine?
The canonical SMILES for N,N-diethyl-2-[2-(4-methoxyphenyl)benzimidazol-1-yl]ethanamine is CCN(CC)CCn1c(-c2ccc(OC)cc2)nc2ccccc21.
What is the InChIKey of N,N-diethyl-2-[2-(4-methoxyphenyl)benzimidazol-1-yl]ethanamine?
The InChIKey is YLTOMFFHIPAEJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25N3O/c1-4-22(5-2)14-15-23-19-9-7-6-8-18(19)21-20(23)16-10-12-17(24-3)13-11-16/h6-13H,4-5,14-15H2,1-3H3.
What are the key properties of N,N-diethyl-2-[2-(4-methoxyphenyl)benzimidazol-1-yl]ethanamine?
N,N-diethyl-2-[2-(4-methoxyphenyl)benzimidazol-1-yl]ethanamine has a molecular weight of 323.44 g/mol, XLogP of 4.05, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-diethyl-2-[2-(4-methoxyphenyl)benzimidazol-1-yl]ethanamine is sourced from PubChem (CID 21391), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).