2-amino-N-[2-[[methyl(5,6,7,8-tetrahydroquinolin-8-yl)amino]methyl]-1H-benzimidazol-4-yl]acetamide

C20H24N6O — CID 59665976

IUPAC2-amino-N-[2-[[methyl(5,6,7,8-tetrahydroquinolin-8-yl)amino]methyl]-1H-benzimidazol-4-yl]acetamide
SMILESCN(Cc1nc2c(NC(=O)CN)cccc2[nH]1)C1CCCc2cccnc21
InChIInChI=1S/C20H24N6O/c1-26(16-9-2-5-13-6-4-10-22-19(13)16)12-17-23-14-7-3-8-15(20(14)25-17)24-18(27)11-21/h3-4,6-8,10,16H,2,5,9,11-12,21H2,1H3,(H,23,25)(H,24,27)
InChIKeyZMOYIANRLNAKML-UHFFFAOYSA-N
MW364.45 g/mol
LogP2.36
Rot. Bonds5

About 2-amino-N-[2-[[methyl(5,6,7,8-tetrahydroquinolin-8-yl)amino]methyl]-1H-benzimidazol-4-yl]acetamide

2-amino-N-[2-[[methyl(5,6,7,8-tetrahydroquinolin-8-yl)amino]methyl]-1H-benzimidazol-4-yl]acetamide (PubChem CID 59665976) has the molecular formula C20H24N6O and a molecular weight of 364.45 g/mol. Its IUPAC name is 2-amino-N-[2-[[methyl(5,6,7,8-tetrahydroquinolin-8-yl)amino]methyl]-1H-benzimidazol-4-yl]acetamide.

Molecular Properties

Compound Name2-amino-N-[2-[[methyl(5,6,7,8-tetrahydroquinolin-8-yl)amino]methyl]-1H-benzimidazol-4-yl]acetamide
PubChem CID59665976
Molecular FormulaC20H24N6O
Molecular Weight364.45 g/mol
Exact Mass364.20
IUPAC Name2-amino-N-[2-[[methyl(5,6,7,8-tetrahydroquinolin-8-yl)amino]methyl]-1H-benzimidazol-4-yl]acetamide
SMILESCN(Cc1nc2c(NC(=O)CN)cccc2[nH]1)C1CCCc2cccnc21
InChIInChI=1S/C20H24N6O/c1-26(16-9-2-5-13-6-4-10-22-19(13)16)12-17-23-14-7-3-8-15(20(14)25-17)24-18(27)11-21/h3-4,6-8,10,16H,2,5,9,11-12,21H2,1H3,(H,23,25)(H,24,27)
InChIKeyZMOYIANRLNAKML-UHFFFAOYSA-N
XLogP2.36
TPSA99.93 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.45
LogP ≤ 52.36
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze 2-amino-N-[2-[[methyl(5,6,7,8-tetrahydroquinolin-8-yl)amino]methyl]-1H-benzimidazol-4-yl]acetamide with MolForge

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Related Compounds

[2-methyl-1-[[2-[[methyl(5,6,7,8-tetrahydroquinolin-8-yl)amino]methyl]-1H-benzimidazol-4-yl]amino]-1-oxopropan-2-yl]carbamic acid
CID 69229740
N-(1H-benzimidazol-2-ylmethyl)-2-[[methyl(5,6,7,8-tetrahydroquinolin-8-yl)amino]methyl]-1H-benzimidazole-4-carboxamide
CID 11634094
N,N,N'-trimethyl-N'-[2-[[methyl(5,6,7,8-tetrahydroquinolin-8-yl)amino]methyl]-1H-benzimidazol-4-yl]ethane-1,2-diamine
CID 11509406
N-methyl-N-[[4-(4-methylpiperazin-1-yl)-1H-benzimidazol-2-yl]methyl]-5,6,7,8-tetrahydroquinolin-8-amine
CID 11545594
tert-butyl 4-[2-[[methyl(5,6,7,8-tetrahydroquinolin-8-yl)amino]methyl]-1H-benzimidazol-4-yl]piperazine-1-carboxylate
CID 45484548
N-methyl-N-[[4-(piperazin-1-ylmethyl)-1H-benzimidazol-2-yl]methyl]-5,6,7,8-tetrahydroquinolin-8-amine
CID 11545596
N-[2-(3,5-dimethyl-1H-pyrazol-4-yl)ethyl]-2-[[methyl(5,6,7,8-tetrahydroquinolin-8-yl)amino]methyl]-1H-benzimidazole-4-carboxamide
CID 59665951
N-methyl-N-[[4-(4-methylpiperazin-1-yl)-1H-benzimidazol-2-yl]methyl]-6,7,8,9-tetrahydro-5H-cyclohepta[b]pyridin-9-amine
CID 11560480
N-methyl-N-[[4-(3-pyrrolidin-1-ylpropyl)-1H-benzimidazol-2-yl]methyl]-5,6,7,8-tetrahydroquinolin-8-amine
CID 11524227
2-[[methyl(5,6,7,8-tetrahydroquinolin-8-yl)amino]methyl]-N-(3-morpholin-4-ylpropyl)-1H-benzimidazole-4-carboxamide
CID 11554442
N'-[(4-methyl-1H-benzimidazol-2-yl)methyl]-N'-(5,6,7,8-tetrahydroquinolin-8-yl)butane-1,4-diamine
CID 59694139
methane;N'-[(4-methoxy-1H-benzimidazol-2-yl)methyl]-N'-(5,6,7,8-tetrahydroquinolin-8-yl)butane-1,4-diamine
CID 158148402

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-[2-[[methyl(5,6,7,8-tetrahydroquinolin-8-yl)amino]methyl]-1H-benzimidazol-4-yl]acetamide?
The IUPAC name of 2-amino-N-[2-[[methyl(5,6,7,8-tetrahydroquinolin-8-yl)amino]methyl]-1H-benzimidazol-4-yl]acetamide (CID 59665976) is 2-amino-N-[2-[[methyl(5,6,7,8-tetrahydroquinolin-8-yl)amino]methyl]-1H-benzimidazol-4-yl]acetamide.
What is the SMILES notation for 2-amino-N-[2-[[methyl(5,6,7,8-tetrahydroquinolin-8-yl)amino]methyl]-1H-benzimidazol-4-yl]acetamide?
The canonical SMILES for 2-amino-N-[2-[[methyl(5,6,7,8-tetrahydroquinolin-8-yl)amino]methyl]-1H-benzimidazol-4-yl]acetamide is CN(Cc1nc2c(NC(=O)CN)cccc2[nH]1)C1CCCc2cccnc21.
What is the InChIKey of 2-amino-N-[2-[[methyl(5,6,7,8-tetrahydroquinolin-8-yl)amino]methyl]-1H-benzimidazol-4-yl]acetamide?
The InChIKey is ZMOYIANRLNAKML-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N6O/c1-26(16-9-2-5-13-6-4-10-22-19(13)16)12-17-23-14-7-3-8-15(20(14)25-17)24-18(27)11-21/h3-4,6-8,10,16H,2,5,9,11-12,21H2,1H3,(H,23,25)(H,24,27).
What are the key properties of 2-amino-N-[2-[[methyl(5,6,7,8-tetrahydroquinolin-8-yl)amino]methyl]-1H-benzimidazol-4-yl]acetamide?
2-amino-N-[2-[[methyl(5,6,7,8-tetrahydroquinolin-8-yl)amino]methyl]-1H-benzimidazol-4-yl]acetamide has a molecular weight of 364.45 g/mol, XLogP of 2.36, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-[2-[[methyl(5,6,7,8-tetrahydroquinolin-8-yl)amino]methyl]-1H-benzimidazol-4-yl]acetamide is sourced from PubChem (CID 59665976), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).