1-[2-(diethylamino)ethyl]-N-[(3-methoxyphenyl)methyl]benzimidazol-2-amine;hydrochloride

C21H29ClN4O — CID 6603193

IUPAC1-[2-(diethylamino)ethyl]-N-[(3-methoxyphenyl)methyl]benzimidazol-2-amine;hydrochloride
SMILESCCN(CC)CCn1c(NCc2cccc(OC)c2)nc2ccccc21.Cl
InChIInChI=1S/C21H28N4O.ClH/c1-4-24(5-2)13-14-25-20-12-7-6-11-19(20)23-21(25)22-16-17-9-8-10-18(15-17)26-3;/h6-12,15H,4-5,13-14,16H2,1-3H3,(H,22,23);1H
InChIKeyYBTPOERZSYYFKF-UHFFFAOYSA-N
MW388.94 g/mol
LogP4.42
Rot. Bonds9

About 1-[2-(diethylamino)ethyl]-N-[(3-methoxyphenyl)methyl]benzimidazol-2-amine;hydrochloride

1-[2-(diethylamino)ethyl]-N-[(3-methoxyphenyl)methyl]benzimidazol-2-amine;hydrochloride (PubChem CID 6603193) has the molecular formula C21H29ClN4O and a molecular weight of 388.94 g/mol. Its IUPAC name is 1-[2-(diethylamino)ethyl]-N-[(3-methoxyphenyl)methyl]benzimidazol-2-amine;hydrochloride.

Molecular Properties

Compound Name1-[2-(diethylamino)ethyl]-N-[(3-methoxyphenyl)methyl]benzimidazol-2-amine;hydrochloride
PubChem CID6603193
Molecular FormulaC21H29ClN4O
Molecular Weight388.94 g/mol
Exact Mass388.20
IUPAC Name1-[2-(diethylamino)ethyl]-N-[(3-methoxyphenyl)methyl]benzimidazol-2-amine;hydrochloride
SMILESCCN(CC)CCn1c(NCc2cccc(OC)c2)nc2ccccc21.Cl
InChIInChI=1S/C21H28N4O.ClH/c1-4-24(5-2)13-14-25-20-12-7-6-11-19(20)23-21(25)22-16-17-9-8-10-18(15-17)26-3;/h6-12,15H,4-5,13-14,16H2,1-3H3,(H,22,23);1H
InChIKeyYBTPOERZSYYFKF-UHFFFAOYSA-N
XLogP4.42
TPSA42.32 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.94
LogP ≤ 54.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 1-[2-(diethylamino)ethyl]-N-[(3-methoxyphenyl)methyl]benzimidazol-2-amine;hydrochloride with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-[2-(diethylamino)ethyl]-N-[(2,4-dimethoxyphenyl)methyl]benzimidazol-2-amine
CID 3573876
N-(1,3-benzodioxol-5-ylmethyl)-1-[2-(diethylamino)ethyl]benzimidazol-2-amine
CID 2967680
N,N-diethyl-2-[2-(4-methoxyphenyl)benzimidazol-1-yl]ethanamine
CID 21391
1-[2-(diethylamino)ethyl]-N-[(2-morpholin-4-ylpyrimidin-5-yl)methyl]benzimidazol-2-amine
CID 75446132
(E)-N-[1-[2-(diethylamino)ethyl]benzimidazol-2-yl]-3-(3,5-dimethoxyphenyl)prop-2-enamide
CID 18209237
N-[(2,4-dimethoxyphenyl)methyl]-1-propylbenzimidazol-2-amine
CID 937254
N-[(3,4-dimethoxyphenyl)methyl]-1-ethylbenzimidazol-2-amine
CID 937788
2-[1-[(3-methoxyphenyl)methyl]benzimidazol-2-yl]propan-2-amine
CID 54757246
2-chloro-N-[1-[2-(diethylamino)ethyl]benzimidazol-2-yl]acetamide
CID 6611163
N-[1-[2-(diethylamino)ethyl]benzimidazol-2-yl]-3-(methylsulfonylmethyl)benzamide
CID 46823553
N-[(9-ethylcarbazol-3-yl)methyl]-1-(2-phenylethyl)benzimidazol-2-amine
CID 166172551
1-[2-(diethylamino)ethyl]benzimidazol-2-amine
CID 559474

Frequently Asked Questions

What is the IUPAC name of 1-[2-(diethylamino)ethyl]-N-[(3-methoxyphenyl)methyl]benzimidazol-2-amine;hydrochloride?
The IUPAC name of 1-[2-(diethylamino)ethyl]-N-[(3-methoxyphenyl)methyl]benzimidazol-2-amine;hydrochloride (CID 6603193) is 1-[2-(diethylamino)ethyl]-N-[(3-methoxyphenyl)methyl]benzimidazol-2-amine;hydrochloride.
What is the SMILES notation for 1-[2-(diethylamino)ethyl]-N-[(3-methoxyphenyl)methyl]benzimidazol-2-amine;hydrochloride?
The canonical SMILES for 1-[2-(diethylamino)ethyl]-N-[(3-methoxyphenyl)methyl]benzimidazol-2-amine;hydrochloride is CCN(CC)CCn1c(NCc2cccc(OC)c2)nc2ccccc21.Cl.
What is the InChIKey of 1-[2-(diethylamino)ethyl]-N-[(3-methoxyphenyl)methyl]benzimidazol-2-amine;hydrochloride?
The InChIKey is YBTPOERZSYYFKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H28N4O.ClH/c1-4-24(5-2)13-14-25-20-12-7-6-11-19(20)23-21(25)22-16-17-9-8-10-18(15-17)26-3;/h6-12,15H,4-5,13-14,16H2,1-3H3,(H,22,23);1H.
What are the key properties of 1-[2-(diethylamino)ethyl]-N-[(3-methoxyphenyl)methyl]benzimidazol-2-amine;hydrochloride?
1-[2-(diethylamino)ethyl]-N-[(3-methoxyphenyl)methyl]benzimidazol-2-amine;hydrochloride has a molecular weight of 388.94 g/mol, XLogP of 4.42, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(diethylamino)ethyl]-N-[(3-methoxyphenyl)methyl]benzimidazol-2-amine;hydrochloride is sourced from PubChem (CID 6603193), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).