1-[2-(diethylamino)ethyl]-N-[(2,4-dimethoxyphenyl)methyl]benzimidazol-2-amine

C22H30N4O2 — CID 3573876

IUPAC1-[2-(diethylamino)ethyl]-N-[(2,4-dimethoxyphenyl)methyl]benzimidazol-2-amine
SMILESCCN(CC)CCn1c(NCc2ccc(OC)cc2OC)nc2ccccc21
InChIInChI=1S/C22H30N4O2/c1-5-25(6-2)13-14-26-20-10-8-7-9-19(20)24-22(26)23-16-17-11-12-18(27-3)15-21(17)28-4/h7-12,15H,5-6,13-14,16H2,1-4H3,(H,23,24)
InChIKeyQPKTXCAIFDWWAY-UHFFFAOYSA-N
MW382.51 g/mol
LogP4.01
Rot. Bonds10

About 1-[2-(diethylamino)ethyl]-N-[(2,4-dimethoxyphenyl)methyl]benzimidazol-2-amine

1-[2-(diethylamino)ethyl]-N-[(2,4-dimethoxyphenyl)methyl]benzimidazol-2-amine (PubChem CID 3573876) has the molecular formula C22H30N4O2 and a molecular weight of 382.51 g/mol. Its IUPAC name is 1-[2-(diethylamino)ethyl]-N-[(2,4-dimethoxyphenyl)methyl]benzimidazol-2-amine.

Molecular Properties

Compound Name1-[2-(diethylamino)ethyl]-N-[(2,4-dimethoxyphenyl)methyl]benzimidazol-2-amine
PubChem CID3573876
Molecular FormulaC22H30N4O2
Molecular Weight382.51 g/mol
Exact Mass382.24
IUPAC Name1-[2-(diethylamino)ethyl]-N-[(2,4-dimethoxyphenyl)methyl]benzimidazol-2-amine
SMILESCCN(CC)CCn1c(NCc2ccc(OC)cc2OC)nc2ccccc21
InChIInChI=1S/C22H30N4O2/c1-5-25(6-2)13-14-26-20-10-8-7-9-19(20)24-22(26)23-16-17-11-12-18(27-3)15-21(17)28-4/h7-12,15H,5-6,13-14,16H2,1-4H3,(H,23,24)
InChIKeyQPKTXCAIFDWWAY-UHFFFAOYSA-N
XLogP4.01
TPSA51.55 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.51
LogP ≤ 54.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[(2,4-dimethoxyphenyl)methyl]-1-propylbenzimidazol-2-amine
CID 937254
1-[2-(diethylamino)ethyl]-N-[(3-methoxyphenyl)methyl]benzimidazol-2-amine;hydrochloride
CID 6603193
N,N-diethyl-2-[2-(4-methoxyphenyl)benzimidazol-1-yl]ethanamine
CID 21391
N-[(2,5-dimethoxyphenyl)methyl]-1-methylbenzimidazol-2-amine
CID 937758
N-(1,3-benzodioxol-5-ylmethyl)-1-[2-(diethylamino)ethyl]benzimidazol-2-amine
CID 2967680
N-[(2,5-dimethoxyphenyl)methyl]-1-prop-2-enylbenzimidazol-2-amine
CID 7342830
(E)-N-[1-[2-(diethylamino)ethyl]benzimidazol-2-yl]-3-(3,5-dimethoxyphenyl)prop-2-enamide
CID 18209237
1-butyl-N-[(2,3-dimethoxyphenyl)methyl]benzimidazol-2-amine
CID 4265206
N-[(2,3-dimethoxyphenyl)methyl]-1-ethylbenzimidazol-2-amine
CID 936324
N-[(3,4-dimethoxyphenyl)methyl]-1-ethylbenzimidazol-2-amine
CID 937788
1-[2-(diethylamino)ethyl]-N-[(2-morpholin-4-ylpyrimidin-5-yl)methyl]benzimidazol-2-amine
CID 75446132
2-chloro-N-[1-[2-(diethylamino)ethyl]benzimidazol-2-yl]acetamide
CID 6611163

Frequently Asked Questions

What is the IUPAC name of 1-[2-(diethylamino)ethyl]-N-[(2,4-dimethoxyphenyl)methyl]benzimidazol-2-amine?
The IUPAC name of 1-[2-(diethylamino)ethyl]-N-[(2,4-dimethoxyphenyl)methyl]benzimidazol-2-amine (CID 3573876) is 1-[2-(diethylamino)ethyl]-N-[(2,4-dimethoxyphenyl)methyl]benzimidazol-2-amine.
What is the SMILES notation for 1-[2-(diethylamino)ethyl]-N-[(2,4-dimethoxyphenyl)methyl]benzimidazol-2-amine?
The canonical SMILES for 1-[2-(diethylamino)ethyl]-N-[(2,4-dimethoxyphenyl)methyl]benzimidazol-2-amine is CCN(CC)CCn1c(NCc2ccc(OC)cc2OC)nc2ccccc21.
What is the InChIKey of 1-[2-(diethylamino)ethyl]-N-[(2,4-dimethoxyphenyl)methyl]benzimidazol-2-amine?
The InChIKey is QPKTXCAIFDWWAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H30N4O2/c1-5-25(6-2)13-14-26-20-10-8-7-9-19(20)24-22(26)23-16-17-11-12-18(27-3)15-21(17)28-4/h7-12,15H,5-6,13-14,16H2,1-4H3,(H,23,24).
What are the key properties of 1-[2-(diethylamino)ethyl]-N-[(2,4-dimethoxyphenyl)methyl]benzimidazol-2-amine?
1-[2-(diethylamino)ethyl]-N-[(2,4-dimethoxyphenyl)methyl]benzimidazol-2-amine has a molecular weight of 382.51 g/mol, XLogP of 4.01, 10 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(diethylamino)ethyl]-N-[(2,4-dimethoxyphenyl)methyl]benzimidazol-2-amine is sourced from PubChem (CID 3573876), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).