N-[(1-methylbenzimidazol-2-yl)methyl]-2-pyridin-2-yl-N-[[4-[(pyridin-2-ylmethylamino)methyl]phenyl]methyl]ethanamine

C30H32N6 — CID 22256513

IUPACN-[(1-methylbenzimidazol-2-yl)methyl]-2-pyridin-2-yl-N-[[4-[(pyridin-2-ylmethylamino)methyl]phenyl]methyl]ethanamine
SMILESCn1c(CN(CCc2ccccn2)Cc2ccc(CNCc3ccccn3)cc2)nc2ccccc21
InChIInChI=1S/C30H32N6/c1-35-29-11-3-2-10-28(29)34-30(35)23-36(19-16-26-8-4-6-17-32-26)22-25-14-12-24(13-15-25)20-31-21-27-9-5-7-18-33-27/h2-15,17-18,31H,16,19-23H2,1H3
InChIKeyMAFZBZUSYWGNLM-UHFFFAOYSA-N
MW476.63 g/mol
LogP4.90
Rot. Bonds11

About N-[(1-methylbenzimidazol-2-yl)methyl]-2-pyridin-2-yl-N-[[4-[(pyridin-2-ylmethylamino)methyl]phenyl]methyl]ethanamine

N-[(1-methylbenzimidazol-2-yl)methyl]-2-pyridin-2-yl-N-[[4-[(pyridin-2-ylmethylamino)methyl]phenyl]methyl]ethanamine (PubChem CID 22256513) has the molecular formula C30H32N6 and a molecular weight of 476.63 g/mol. Its IUPAC name is N-[(1-methylbenzimidazol-2-yl)methyl]-2-pyridin-2-yl-N-[[4-[(pyridin-2-ylmethylamino)methyl]phenyl]methyl]ethanamine.

Molecular Properties

Compound NameN-[(1-methylbenzimidazol-2-yl)methyl]-2-pyridin-2-yl-N-[[4-[(pyridin-2-ylmethylamino)methyl]phenyl]methyl]ethanamine
PubChem CID22256513
Molecular FormulaC30H32N6
Molecular Weight476.63 g/mol
Exact Mass476.27
IUPAC NameN-[(1-methylbenzimidazol-2-yl)methyl]-2-pyridin-2-yl-N-[[4-[(pyridin-2-ylmethylamino)methyl]phenyl]methyl]ethanamine
SMILESCn1c(CN(CCc2ccccn2)Cc2ccc(CNCc3ccccn3)cc2)nc2ccccc21
InChIInChI=1S/C30H32N6/c1-35-29-11-3-2-10-28(29)34-30(35)23-36(19-16-26-8-4-6-17-32-26)22-25-14-12-24(13-15-25)20-31-21-27-9-5-7-18-33-27/h2-15,17-18,31H,16,19-23H2,1H3
InChIKeyMAFZBZUSYWGNLM-UHFFFAOYSA-N
XLogP4.90
TPSA58.87 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds11
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500476.63
LogP ≤ 54.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

3-(1-methylbenzimidazol-2-yl)-N-(pyridin-2-ylmethyl)propan-1-amine
CID 83962036
N-benzyl-N-[[7-[[benzyl-[2-(1-methylbenzimidazol-2-yl)ethyl]amino]methyl]-1,8-naphthyridin-2-yl]methyl]-2-(1-methylbenzimidazol-2-yl)ethanamine
CID 12975078
2-(1-methylbenzimidazol-2-yl)-N-(pyridin-4-ylmethyl)ethanamine
CID 83961969
N'-[(4-methoxyphenyl)methyl]-N-(pyridin-2-ylmethyl)-N'-[2-(pyridin-2-ylmethylamino)ethyl]ethane-1,2-diamine
CID 101492526
3-methyl-2-[[methyl(2-pyridin-2-ylethyl)amino]methyl]quinazolin-4-one
CID 122133317
N'-[[4-[[2-(4-chlorophenyl)ethylamino]methyl]phenyl]methyl]-N-(pyridin-2-ylmethyl)-N'-[2-(pyridin-2-ylmethylamino)ethyl]ethane-1,2-diamine
CID 59750989
1-(4-methylphenyl)-N-(pyridin-2-ylmethyl)methanamine;hydrochloride
CID 44782427
1-(1-methylbenzimidazol-2-yl)-3-pyridin-2-ylpropan-2-one
CID 79753774
copper;N,N-bis[(1-methylbenzimidazol-2-yl)methyl]-2-methylsulfanylethanamine;chloride;perchlorate
CID 139186307
3-(1-methylbenzimidazol-2-yl)-N-(pyrazin-2-ylmethyl)propan-1-amine
CID 83962034
N-methyl-N-[[4-(methylaminomethyl)phenyl]methyl]-2-pyridin-2-ylethanamine
CID 62419205
N'-[(4-chlorophenyl)methyl]-N,N'-bis(pyridin-2-ylmethyl)ethane-1,2-diamine
CID 102163295

Frequently Asked Questions

What is the IUPAC name of N-[(1-methylbenzimidazol-2-yl)methyl]-2-pyridin-2-yl-N-[[4-[(pyridin-2-ylmethylamino)methyl]phenyl]methyl]ethanamine?
The IUPAC name of N-[(1-methylbenzimidazol-2-yl)methyl]-2-pyridin-2-yl-N-[[4-[(pyridin-2-ylmethylamino)methyl]phenyl]methyl]ethanamine (CID 22256513) is N-[(1-methylbenzimidazol-2-yl)methyl]-2-pyridin-2-yl-N-[[4-[(pyridin-2-ylmethylamino)methyl]phenyl]methyl]ethanamine.
What is the SMILES notation for N-[(1-methylbenzimidazol-2-yl)methyl]-2-pyridin-2-yl-N-[[4-[(pyridin-2-ylmethylamino)methyl]phenyl]methyl]ethanamine?
The canonical SMILES for N-[(1-methylbenzimidazol-2-yl)methyl]-2-pyridin-2-yl-N-[[4-[(pyridin-2-ylmethylamino)methyl]phenyl]methyl]ethanamine is Cn1c(CN(CCc2ccccn2)Cc2ccc(CNCc3ccccn3)cc2)nc2ccccc21.
What is the InChIKey of N-[(1-methylbenzimidazol-2-yl)methyl]-2-pyridin-2-yl-N-[[4-[(pyridin-2-ylmethylamino)methyl]phenyl]methyl]ethanamine?
The InChIKey is MAFZBZUSYWGNLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H32N6/c1-35-29-11-3-2-10-28(29)34-30(35)23-36(19-16-26-8-4-6-17-32-26)22-25-14-12-24(13-15-25)20-31-21-27-9-5-7-18-33-27/h2-15,17-18,31H,16,19-23H2,1H3.
What are the key properties of N-[(1-methylbenzimidazol-2-yl)methyl]-2-pyridin-2-yl-N-[[4-[(pyridin-2-ylmethylamino)methyl]phenyl]methyl]ethanamine?
N-[(1-methylbenzimidazol-2-yl)methyl]-2-pyridin-2-yl-N-[[4-[(pyridin-2-ylmethylamino)methyl]phenyl]methyl]ethanamine has a molecular weight of 476.63 g/mol, XLogP of 4.90, 11 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-methylbenzimidazol-2-yl)methyl]-2-pyridin-2-yl-N-[[4-[(pyridin-2-ylmethylamino)methyl]phenyl]methyl]ethanamine is sourced from PubChem (CID 22256513), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).