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

C44H44N8 — CID 12975078

IUPACN-benzyl-N-[[7-[[benzyl-[2-(1-methylbenzimidazol-2-yl)ethyl]amino]methyl]-1,8-naphthyridin-2-yl]methyl]-2-(1-methylbenzimidazol-2-yl)ethanamine
SMILESCn1c(CCN(Cc2ccccc2)Cc2ccc3ccc(CN(CCc4nc5ccccc5n4C)Cc4ccccc4)nc3n2)nc2ccccc21
InChIInChI=1S/C44H44N8/c1-49-40-19-11-9-17-38(40)47-42(49)25-27-51(29-33-13-5-3-6-14-33)31-36-23-21-35-22-24-37(46-44(35)45-36)32-52(30-34-15-7-4-8-16-34)28-26-43-48-39-18-10-12-20-41(39)50(43)2/h3-24H,25-32H2,1-2H3
InChIKeyGNBHOMCYMXCNNM-UHFFFAOYSA-N
MW684.89 g/mol
LogP7.89
Rot. Bonds14

About 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

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 (PubChem CID 12975078) has the molecular formula C44H44N8 and a molecular weight of 684.89 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound NameN-benzyl-N-[[7-[[benzyl-[2-(1-methylbenzimidazol-2-yl)ethyl]amino]methyl]-1,8-naphthyridin-2-yl]methyl]-2-(1-methylbenzimidazol-2-yl)ethanamine
PubChem CID12975078
Molecular FormulaC44H44N8
Molecular Weight684.89 g/mol
Exact Mass684.37
IUPAC NameN-benzyl-N-[[7-[[benzyl-[2-(1-methylbenzimidazol-2-yl)ethyl]amino]methyl]-1,8-naphthyridin-2-yl]methyl]-2-(1-methylbenzimidazol-2-yl)ethanamine
SMILESCn1c(CCN(Cc2ccccc2)Cc2ccc3ccc(CN(CCc4nc5ccccc5n4C)Cc4ccccc4)nc3n2)nc2ccccc21
InChIInChI=1S/C44H44N8/c1-49-40-19-11-9-17-38(40)47-42(49)25-27-51(29-33-13-5-3-6-14-33)31-36-23-21-35-22-24-37(46-44(35)45-36)32-52(30-34-15-7-4-8-16-34)28-26-43-48-39-18-10-12-20-41(39)50(43)2/h3-24H,25-32H2,1-2H3
InChIKeyGNBHOMCYMXCNNM-UHFFFAOYSA-N
XLogP7.89
TPSA67.90 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds14
Heavy Atoms52
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500684.89
LogP ≤ 57.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Analyze 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 with MolForge

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Related Compounds

(E)-N-benzyl-N,N',N'-tris[(1-methylbenzimidazol-2-yl)methyl]ethene-1,2-diamine
CID 22114999
1-phenyl-N,N-bis(quinolin-2-ylmethyl)methanamine
CID 86023570
1-methyl-2-[4-(1-methylbenzimidazol-2-yl)butyl]benzimidazole
CID 171320881
N-[(1-methylbenzimidazol-2-yl)methyl]-2-pyridin-2-yl-N-[[4-[(pyridin-2-ylmethylamino)methyl]phenyl]methyl]ethanamine
CID 22256513
N,N-dibenzyl-1-[3-[(1-methylbenzimidazol-2-yl)methyl]-3-azabicyclo[3.1.0]hexan-6-yl]methanamine
CID 69404713
2-(1-methylbenzimidazol-2-yl)ethanamine;dihydrochloride
CID 45075160
2-[bis[(1-methylbenzimidazol-2-yl)methyl]amino]acetic acid
CID 101152444
N,N'-dibenzyl-N,N'-bis[(6-methyl-2-pyridinyl)methyl]ethane-1,2-diamine
CID 102375752
3-(1-methylbenzimidazol-2-yl)propan-1-ol
CID 4585215
N,N'-diethyl-N,N'-bis(quinolin-2-ylmethyl)ethane-1,2-diamine
CID 101381014
2-(4-chlorobutyl)-1-methylbenzimidazole
CID 43142612
2-(iodomethyl)-1-methylbenzimidazole
CID 20803299

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is Cn1c(CCN(Cc2ccccc2)Cc2ccc3ccc(CN(CCc4nc5ccccc5n4C)Cc4ccccc4)nc3n2)nc2ccccc21.
What is the InChIKey of 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?
The InChIKey is GNBHOMCYMXCNNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C44H44N8/c1-49-40-19-11-9-17-38(40)47-42(49)25-27-51(29-33-13-5-3-6-14-33)31-36-23-21-35-22-24-37(46-44(35)45-36)32-52(30-34-15-7-4-8-16-34)28-26-43-48-39-18-10-12-20-41(39)50(43)2/h3-24H,25-32H2,1-2H3.
What are the key properties of 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?
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 has a molecular weight of 684.89 g/mol, XLogP of 7.89, 14 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 12975078), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).