6-N-[[3-[[(4-amino-1-benzyl-2-butylimidazo[4,5-c]pyridin-6-yl)amino]methyl]phenyl]methyl]-1-benzyl-2-butylimidazo[4,5-c]pyridine-4,6-diamine

C42H48N10 — CID 72696187

IUPAC6-N-[[3-[[(4-amino-1-benzyl-2-butylimidazo[4,5-c]pyridin-6-yl)amino]methyl]phenyl]methyl]-1-benzyl-2-butylimidazo[4,5-c]pyridine-4,6-diamine
SMILESCCCCc1nc2c(N)nc(NCc3cccc(CNc4cc5c(nc(CCCC)n5Cc5ccccc5)c(N)n4)c3)cc2n1Cc1ccccc1
InChIInChI=1S/C42H48N10/c1-3-5-20-37-49-39-33(51(37)27-29-14-9-7-10-15-29)23-35(47-41(39)43)45-25-31-18-13-19-32(22-31)26-46-36-24-34-40(42(44)48-36)50-38(21-6-4-2)52(34)28-30-16-11-8-12-17-30/h7-19,22-24H,3-6,20-21,25-28H2,1-2H3,(H3,43,45,47)(H3,44,46,48)
InChIKeyOCNHARLZCWPZOS-UHFFFAOYSA-N
MW692.92 g/mol
LogP8.35
Rot. Bonds16

About 6-N-[[3-[[(4-amino-1-benzyl-2-butylimidazo[4,5-c]pyridin-6-yl)amino]methyl]phenyl]methyl]-1-benzyl-2-butylimidazo[4,5-c]pyridine-4,6-diamine

6-N-[[3-[[(4-amino-1-benzyl-2-butylimidazo[4,5-c]pyridin-6-yl)amino]methyl]phenyl]methyl]-1-benzyl-2-butylimidazo[4,5-c]pyridine-4,6-diamine (PubChem CID 72696187) has the molecular formula C42H48N10 and a molecular weight of 692.92 g/mol. Its IUPAC name is 6-N-[[3-[[(4-amino-1-benzyl-2-butylimidazo[4,5-c]pyridin-6-yl)amino]methyl]phenyl]methyl]-1-benzyl-2-butylimidazo[4,5-c]pyridine-4,6-diamine.

Molecular Properties

Compound Name6-N-[[3-[[(4-amino-1-benzyl-2-butylimidazo[4,5-c]pyridin-6-yl)amino]methyl]phenyl]methyl]-1-benzyl-2-butylimidazo[4,5-c]pyridine-4,6-diamine
PubChem CID72696187
Molecular FormulaC42H48N10
Molecular Weight692.92 g/mol
Exact Mass692.41
IUPAC Name6-N-[[3-[[(4-amino-1-benzyl-2-butylimidazo[4,5-c]pyridin-6-yl)amino]methyl]phenyl]methyl]-1-benzyl-2-butylimidazo[4,5-c]pyridine-4,6-diamine
SMILESCCCCc1nc2c(N)nc(NCc3cccc(CNc4cc5c(nc(CCCC)n5Cc5ccccc5)c(N)n4)c3)cc2n1Cc1ccccc1
InChIInChI=1S/C42H48N10/c1-3-5-20-37-49-39-33(51(37)27-29-14-9-7-10-15-29)23-35(47-41(39)43)45-25-31-18-13-19-32(22-31)26-46-36-24-34-40(42(44)48-36)50-38(21-6-4-2)52(34)28-30-16-11-8-12-17-30/h7-19,22-24H,3-6,20-21,25-28H2,1-2H3,(H3,43,45,47)(H3,44,46,48)
InChIKeyOCNHARLZCWPZOS-UHFFFAOYSA-N
XLogP8.35
TPSA137.52 Ų
H-Bond Donors4
H-Bond Acceptors10
Rotatable Bonds16
Heavy Atoms52
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500692.92
LogP ≤ 58.35
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1010

Analyze 6-N-[[3-[[(4-amino-1-benzyl-2-butylimidazo[4,5-c]pyridin-6-yl)amino]methyl]phenyl]methyl]-1-benzyl-2-butylimidazo[4,5-c]pyridine-4,6-diamine 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-benzyl-2-butyl-6-N-[(4-chlorophenyl)methyl]imidazo[4,5-c]pyridine-4,6-diamine
CID 72696052
1,6-dibenzyl-2-butylimidazo[4,5-c]pyridin-4-amine
CID 72696448
7-N-[[4-(aminomethyl)phenyl]methyl]-1-benzyl-2-butylimidazo[4,5-c]quinoline-4,7-diamine;ethane
CID 169185513
2-butyl-1-[[3-[(tert-butylamino)methyl]phenyl]methyl]imidazo[4,5-c]quinolin-4-amine;2-butyl-1-[[4-(3,3-dimethylbutyl)phenyl]methyl]imidazo[4,5-c]quinolin-4-amine
CID 162258982
1-benzyl-2-propylbenzimidazol-4-amine
CID 82067310
2-butyl-1-[(4-ethylphenyl)methyl]imidazo[4,5-c]quinolin-4-amine
CID 134510359
4-[(2-butylbenzimidazol-1-yl)methyl]aniline
CID 54524981
2-butyl-1-[(3-phenoxyphenyl)methyl]imidazo[4,5-c]quinolin-4-amine
CID 164926465
[4-(tert-butylamino)phenyl]methyl N-[[3-[(4-amino-2-butylimidazo[4,5-c]quinolin-1-yl)methyl]phenyl]methyl]carbamate
CID 138645232
2-butyl-1-[[4-[(nonadecylamino)methyl]phenyl]methyl]imidazo[4,5-c]quinolin-4-amine
CID 138618993
2-butyl-1-(furan-3-ylmethyl)imidazo[4,5-c]quinolin-4-amine
CID 177376202
2-butyl-1-(pyridin-3-ylmethyl)imidazo[4,5-c]quinolin-4-amine
CID 177376197

Frequently Asked Questions

What is the IUPAC name of 6-N-[[3-[[(4-amino-1-benzyl-2-butylimidazo[4,5-c]pyridin-6-yl)amino]methyl]phenyl]methyl]-1-benzyl-2-butylimidazo[4,5-c]pyridine-4,6-diamine?
The IUPAC name of 6-N-[[3-[[(4-amino-1-benzyl-2-butylimidazo[4,5-c]pyridin-6-yl)amino]methyl]phenyl]methyl]-1-benzyl-2-butylimidazo[4,5-c]pyridine-4,6-diamine (CID 72696187) is 6-N-[[3-[[(4-amino-1-benzyl-2-butylimidazo[4,5-c]pyridin-6-yl)amino]methyl]phenyl]methyl]-1-benzyl-2-butylimidazo[4,5-c]pyridine-4,6-diamine.
What is the SMILES notation for 6-N-[[3-[[(4-amino-1-benzyl-2-butylimidazo[4,5-c]pyridin-6-yl)amino]methyl]phenyl]methyl]-1-benzyl-2-butylimidazo[4,5-c]pyridine-4,6-diamine?
The canonical SMILES for 6-N-[[3-[[(4-amino-1-benzyl-2-butylimidazo[4,5-c]pyridin-6-yl)amino]methyl]phenyl]methyl]-1-benzyl-2-butylimidazo[4,5-c]pyridine-4,6-diamine is CCCCc1nc2c(N)nc(NCc3cccc(CNc4cc5c(nc(CCCC)n5Cc5ccccc5)c(N)n4)c3)cc2n1Cc1ccccc1.
What is the InChIKey of 6-N-[[3-[[(4-amino-1-benzyl-2-butylimidazo[4,5-c]pyridin-6-yl)amino]methyl]phenyl]methyl]-1-benzyl-2-butylimidazo[4,5-c]pyridine-4,6-diamine?
The InChIKey is OCNHARLZCWPZOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C42H48N10/c1-3-5-20-37-49-39-33(51(37)27-29-14-9-7-10-15-29)23-35(47-41(39)43)45-25-31-18-13-19-32(22-31)26-46-36-24-34-40(42(44)48-36)50-38(21-6-4-2)52(34)28-30-16-11-8-12-17-30/h7-19,22-24H,3-6,20-21,25-28H2,1-2H3,(H3,43,45,47)(H3,44,46,48).
What are the key properties of 6-N-[[3-[[(4-amino-1-benzyl-2-butylimidazo[4,5-c]pyridin-6-yl)amino]methyl]phenyl]methyl]-1-benzyl-2-butylimidazo[4,5-c]pyridine-4,6-diamine?
6-N-[[3-[[(4-amino-1-benzyl-2-butylimidazo[4,5-c]pyridin-6-yl)amino]methyl]phenyl]methyl]-1-benzyl-2-butylimidazo[4,5-c]pyridine-4,6-diamine has a molecular weight of 692.92 g/mol, XLogP of 8.35, 16 rotatable bonds, 4 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 6-N-[[3-[[(4-amino-1-benzyl-2-butylimidazo[4,5-c]pyridin-6-yl)amino]methyl]phenyl]methyl]-1-benzyl-2-butylimidazo[4,5-c]pyridine-4,6-diamine is sourced from PubChem (CID 72696187), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).