4-[[(2-methyl-1H-imidazol-5-yl)methyl-(5,6,7,8-tetrahydroquinolin-8-yl)amino]methyl]benzamide

C22H25N5O — CID 91226760

IUPAC4-[[(2-methyl-1H-imidazol-5-yl)methyl-(5,6,7,8-tetrahydroquinolin-8-yl)amino]methyl]benzamide
SMILESCc1ncc(CN(Cc2ccc(C(N)=O)cc2)C2CCCc3cccnc32)[nH]1
InChIInChI=1S/C22H25N5O/c1-15-25-12-19(26-15)14-27(13-16-7-9-18(10-8-16)22(23)28)20-6-2-4-17-5-3-11-24-21(17)20/h3,5,7-12,20H,2,4,6,13-14H2,1H3,(H2,23,28)(H,25,26)
InChIKeyQNKHCULIAUZXBC-UHFFFAOYSA-N
MW375.48 g/mol
LogP3.29
Rot. Bonds6

About 4-[[(2-methyl-1H-imidazol-5-yl)methyl-(5,6,7,8-tetrahydroquinolin-8-yl)amino]methyl]benzamide

4-[[(2-methyl-1H-imidazol-5-yl)methyl-(5,6,7,8-tetrahydroquinolin-8-yl)amino]methyl]benzamide (PubChem CID 91226760) has the molecular formula C22H25N5O and a molecular weight of 375.48 g/mol. Its IUPAC name is 4-[[(2-methyl-1H-imidazol-5-yl)methyl-(5,6,7,8-tetrahydroquinolin-8-yl)amino]methyl]benzamide.

Molecular Properties

Compound Name4-[[(2-methyl-1H-imidazol-5-yl)methyl-(5,6,7,8-tetrahydroquinolin-8-yl)amino]methyl]benzamide
PubChem CID91226760
Molecular FormulaC22H25N5O
Molecular Weight375.48 g/mol
Exact Mass375.21
IUPAC Name4-[[(2-methyl-1H-imidazol-5-yl)methyl-(5,6,7,8-tetrahydroquinolin-8-yl)amino]methyl]benzamide
SMILESCc1ncc(CN(Cc2ccc(C(N)=O)cc2)C2CCCc3cccnc32)[nH]1
InChIInChI=1S/C22H25N5O/c1-15-25-12-19(26-15)14-27(13-16-7-9-18(10-8-16)22(23)28)20-6-2-4-17-5-3-11-24-21(17)20/h3,5,7-12,20H,2,4,6,13-14H2,1H3,(H2,23,28)(H,25,26)
InChIKeyQNKHCULIAUZXBC-UHFFFAOYSA-N
XLogP3.29
TPSA87.90 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.48
LogP ≤ 53.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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

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Related Compounds

(4,6-dimethylpyrimidin-5-yl) N-[[3-[[(2-methyl-1H-imidazol-5-yl)methyl-(5,6,7,8-tetrahydroquinolin-8-yl)amino]methyl]phenyl]methyl]carbamate
CID 68897319
4,6-dimethylpyrimidine-5-carboxylic acid;4-[[1,3-oxazol-5-ylmethyl(5,6,7,8-tetrahydroquinolin-8-yl)amino]methyl]benzamide
CID 161334254
N-(1H-benzimidazol-2-ylmethyl)-N-[[4-[[(2-methyl-1H-imidazol-5-yl)methylamino]methyl]phenyl]methyl]-5,6,7,8-tetrahydroquinolin-8-amine;hydrobromide
CID 69328557
3,5-dichloro-N-[[4-[[(2,5-dimethyl-1H-imidazol-4-yl)methyl-(5,6,7,8-tetrahydroquinolin-8-yl)amino]methyl]phenyl]methyl]pyridine-4-carboxamide
CID 10280786
3-chloro-N-[[4-[[(2,5-dimethyl-1H-imidazol-4-yl)methyl-(5,6,7,8-tetrahydroquinolin-8-yl)amino]methyl]phenyl]methyl]pyridine-4-carboxamide
CID 151581798
4-[[1H-benzimidazol-2-ylmethyl(5,6,7,8-tetrahydroquinolin-8-yl)amino]methyl]-N'-methyl-N'-phenylbenzohydrazide
CID 59849342
N-[[4-[[2-(1H-imidazol-2-yl)ethyl-(5,6,7,8-tetrahydroquinolin-8-yl)amino]methyl]phenyl]methyl]-2,4-dimethylpyridine-3-carboxamide
CID 22601324
3,5-dichloro-N-[[4-[[(5-methyl-1H-imidazol-4-yl)methyl-(5,6,7,8-tetrahydroquinolin-8-yl)amino]methyl]phenyl]methyl]pyridine-4-carboxamide
CID 10208892
N-(1H-benzimidazol-2-ylmethyl)-N-benzyl-5,6,7,8-tetrahydroquinolin-8-amine
CID 20747305
N-(1H-benzimidazol-2-ylmethyl)-N-[[4-(nitrosomethyl)phenyl]methyl]-5,6,7,8-tetrahydroquinolin-8-amine
CID 91107225
phenyl-[2-[[[4-[(pyridin-2-ylmethylamino)methyl]phenyl]methyl-(5,6,7,8-tetrahydroquinolin-8-yl)amino]methyl]-3H-benzimidazol-5-yl]methanone
CID 20763998
N-(1H-benzimidazol-2-ylmethyl)-N-[[4-[[(2-methyl-3-pyridinyl)methylamino]methyl]phenyl]methyl]-5,6,7,8-tetrahydroquinolin-8-amine
CID 22018625

Frequently Asked Questions

What is the IUPAC name of 4-[[(2-methyl-1H-imidazol-5-yl)methyl-(5,6,7,8-tetrahydroquinolin-8-yl)amino]methyl]benzamide?
The IUPAC name of 4-[[(2-methyl-1H-imidazol-5-yl)methyl-(5,6,7,8-tetrahydroquinolin-8-yl)amino]methyl]benzamide (CID 91226760) is 4-[[(2-methyl-1H-imidazol-5-yl)methyl-(5,6,7,8-tetrahydroquinolin-8-yl)amino]methyl]benzamide.
What is the SMILES notation for 4-[[(2-methyl-1H-imidazol-5-yl)methyl-(5,6,7,8-tetrahydroquinolin-8-yl)amino]methyl]benzamide?
The canonical SMILES for 4-[[(2-methyl-1H-imidazol-5-yl)methyl-(5,6,7,8-tetrahydroquinolin-8-yl)amino]methyl]benzamide is Cc1ncc(CN(Cc2ccc(C(N)=O)cc2)C2CCCc3cccnc32)[nH]1.
What is the InChIKey of 4-[[(2-methyl-1H-imidazol-5-yl)methyl-(5,6,7,8-tetrahydroquinolin-8-yl)amino]methyl]benzamide?
The InChIKey is QNKHCULIAUZXBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25N5O/c1-15-25-12-19(26-15)14-27(13-16-7-9-18(10-8-16)22(23)28)20-6-2-4-17-5-3-11-24-21(17)20/h3,5,7-12,20H,2,4,6,13-14H2,1H3,(H2,23,28)(H,25,26).
What are the key properties of 4-[[(2-methyl-1H-imidazol-5-yl)methyl-(5,6,7,8-tetrahydroquinolin-8-yl)amino]methyl]benzamide?
4-[[(2-methyl-1H-imidazol-5-yl)methyl-(5,6,7,8-tetrahydroquinolin-8-yl)amino]methyl]benzamide has a molecular weight of 375.48 g/mol, XLogP of 3.29, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[(2-methyl-1H-imidazol-5-yl)methyl-(5,6,7,8-tetrahydroquinolin-8-yl)amino]methyl]benzamide is sourced from PubChem (CID 91226760), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).