N-[(1-ethylbenzimidazol-2-yl)methyl]-N-methyl-1-pyridin-4-ylmethanamine

C17H20N4 — CID 84585943

IUPACN-[(1-ethylbenzimidazol-2-yl)methyl]-N-methyl-1-pyridin-4-ylmethanamine
SMILESCCn1c(CN(C)Cc2ccncc2)nc2ccccc21
InChIInChI=1S/C17H20N4/c1-3-21-16-7-5-4-6-15(16)19-17(21)13-20(2)12-14-8-10-18-11-9-14/h4-11H,3,12-13H2,1-2H3
InChIKeyQRSFIOOSCFYTQT-UHFFFAOYSA-N
MW280.38 g/mol
LogP3.08
Rot. Bonds5

About N-[(1-ethylbenzimidazol-2-yl)methyl]-N-methyl-1-pyridin-4-ylmethanamine

N-[(1-ethylbenzimidazol-2-yl)methyl]-N-methyl-1-pyridin-4-ylmethanamine (PubChem CID 84585943) has the molecular formula C17H20N4 and a molecular weight of 280.38 g/mol. Its IUPAC name is N-[(1-ethylbenzimidazol-2-yl)methyl]-N-methyl-1-pyridin-4-ylmethanamine.

Molecular Properties

Compound NameN-[(1-ethylbenzimidazol-2-yl)methyl]-N-methyl-1-pyridin-4-ylmethanamine
PubChem CID84585943
Molecular FormulaC17H20N4
Molecular Weight280.38 g/mol
Exact Mass280.17
IUPAC NameN-[(1-ethylbenzimidazol-2-yl)methyl]-N-methyl-1-pyridin-4-ylmethanamine
SMILESCCn1c(CN(C)Cc2ccncc2)nc2ccccc21
InChIInChI=1S/C17H20N4/c1-3-21-16-7-5-4-6-15(16)19-17(21)13-20(2)12-14-8-10-18-11-9-14/h4-11H,3,12-13H2,1-2H3
InChIKeyQRSFIOOSCFYTQT-UHFFFAOYSA-N
XLogP3.08
TPSA33.95 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.38
LogP ≤ 53.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze N-[(1-ethylbenzimidazol-2-yl)methyl]-N-methyl-1-pyridin-4-ylmethanamine 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

N-[(1-ethylbenzimidazol-2-yl)methyl]-2-[methyl(pyridin-4-ylmethyl)amino]acetamide
CID 86285007
N-methyl-1-phenyl-N-[(1-propylbenzimidazol-2-yl)methyl]methanamine;hydrochloride
CID 171151744
N-[(1-ethylbenzimidazol-2-yl)methyl]-2,2,6,6-tetramethyl-N-(pyridin-4-ylmethyl)piperidin-4-amine
CID 46962712
N-[(1-ethylbenzimidazol-2-yl)methyl]-N-methylaniline
CID 2991404
N,N-bis[(1-ethylbenzimidazol-2-yl)methyl]aniline
CID 102336325
N-methyl-N-[(1-methylbenzimidazol-2-yl)methyl]-1-pyridin-3-ylmethanamine
CID 71864058
(1-ethylbenzimidazol-2-yl)methylazanium chloride
CID 139581059
N-[(1-ethylbenzimidazol-2-yl)methyl]-N,2,2-trimethylpropanamide
CID 51096302
1-ethyl-2-pentylbenzimidazole
CID 3463966
N,N-bis[(1-ethylbenzimidazol-2-yl)methyl]aniline;dichloronickel
CID 139241229
CID 59065201
CID 59065201
2-tert-butylsulfanyl-N-[(1-ethylbenzimidazol-2-yl)methyl]-N-methylacetamide
CID 60597055

Frequently Asked Questions

What is the IUPAC name of N-[(1-ethylbenzimidazol-2-yl)methyl]-N-methyl-1-pyridin-4-ylmethanamine?
The IUPAC name of N-[(1-ethylbenzimidazol-2-yl)methyl]-N-methyl-1-pyridin-4-ylmethanamine (CID 84585943) is N-[(1-ethylbenzimidazol-2-yl)methyl]-N-methyl-1-pyridin-4-ylmethanamine.
What is the SMILES notation for N-[(1-ethylbenzimidazol-2-yl)methyl]-N-methyl-1-pyridin-4-ylmethanamine?
The canonical SMILES for N-[(1-ethylbenzimidazol-2-yl)methyl]-N-methyl-1-pyridin-4-ylmethanamine is CCn1c(CN(C)Cc2ccncc2)nc2ccccc21.
What is the InChIKey of N-[(1-ethylbenzimidazol-2-yl)methyl]-N-methyl-1-pyridin-4-ylmethanamine?
The InChIKey is QRSFIOOSCFYTQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N4/c1-3-21-16-7-5-4-6-15(16)19-17(21)13-20(2)12-14-8-10-18-11-9-14/h4-11H,3,12-13H2,1-2H3.
What are the key properties of N-[(1-ethylbenzimidazol-2-yl)methyl]-N-methyl-1-pyridin-4-ylmethanamine?
N-[(1-ethylbenzimidazol-2-yl)methyl]-N-methyl-1-pyridin-4-ylmethanamine has a molecular weight of 280.38 g/mol, XLogP of 3.08, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-ethylbenzimidazol-2-yl)methyl]-N-methyl-1-pyridin-4-ylmethanamine is sourced from PubChem (CID 84585943), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).