N-ethyl-1-methyl-2-[[methyl(5,6,7,8-tetrahydroquinolin-8-yl)amino]methyl]benzimidazole-4-carboxamide

C22H27N5O — CID 143191526

IUPACN-ethyl-1-methyl-2-[[methyl(5,6,7,8-tetrahydroquinolin-8-yl)amino]methyl]benzimidazole-4-carboxamide
SMILESCCNC(=O)c1cccc2c1nc(CN(C)C1CCCc3cccnc31)n2C
InChIInChI=1S/C22H27N5O/c1-4-23-22(28)16-10-6-12-18-21(16)25-19(27(18)3)14-26(2)17-11-5-8-15-9-7-13-24-20(15)17/h6-7,9-10,12-13,17H,4-5,8,11,14H2,1-3H3,(H,23,28)
InChIKeyMVOWQMJFRPGHCR-UHFFFAOYSA-N
MW377.49 g/mol
LogP3.23
Rot. Bonds5

About N-ethyl-1-methyl-2-[[methyl(5,6,7,8-tetrahydroquinolin-8-yl)amino]methyl]benzimidazole-4-carboxamide

N-ethyl-1-methyl-2-[[methyl(5,6,7,8-tetrahydroquinolin-8-yl)amino]methyl]benzimidazole-4-carboxamide (PubChem CID 143191526) has the molecular formula C22H27N5O and a molecular weight of 377.49 g/mol. Its IUPAC name is N-ethyl-1-methyl-2-[[methyl(5,6,7,8-tetrahydroquinolin-8-yl)amino]methyl]benzimidazole-4-carboxamide.

Molecular Properties

Compound NameN-ethyl-1-methyl-2-[[methyl(5,6,7,8-tetrahydroquinolin-8-yl)amino]methyl]benzimidazole-4-carboxamide
PubChem CID143191526
Molecular FormulaC22H27N5O
Molecular Weight377.49 g/mol
Exact Mass377.22
IUPAC NameN-ethyl-1-methyl-2-[[methyl(5,6,7,8-tetrahydroquinolin-8-yl)amino]methyl]benzimidazole-4-carboxamide
SMILESCCNC(=O)c1cccc2c1nc(CN(C)C1CCCc3cccnc31)n2C
InChIInChI=1S/C22H27N5O/c1-4-23-22(28)16-10-6-12-18-21(16)25-19(27(18)3)14-26(2)17-11-5-8-15-9-7-13-24-20(15)17/h6-7,9-10,12-13,17H,4-5,8,11,14H2,1-3H3,(H,23,28)
InChIKeyMVOWQMJFRPGHCR-UHFFFAOYSA-N
XLogP3.23
TPSA63.05 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.49
LogP ≤ 53.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-ethyl-1-methyl-2-[[methyl(5,6,7,8-tetrahydroquinolin-8-yl)amino]methyl]benzimidazole-4-carboxamide?
The IUPAC name of N-ethyl-1-methyl-2-[[methyl(5,6,7,8-tetrahydroquinolin-8-yl)amino]methyl]benzimidazole-4-carboxamide (CID 143191526) is N-ethyl-1-methyl-2-[[methyl(5,6,7,8-tetrahydroquinolin-8-yl)amino]methyl]benzimidazole-4-carboxamide.
What is the SMILES notation for N-ethyl-1-methyl-2-[[methyl(5,6,7,8-tetrahydroquinolin-8-yl)amino]methyl]benzimidazole-4-carboxamide?
The canonical SMILES for N-ethyl-1-methyl-2-[[methyl(5,6,7,8-tetrahydroquinolin-8-yl)amino]methyl]benzimidazole-4-carboxamide is CCNC(=O)c1cccc2c1nc(CN(C)C1CCCc3cccnc31)n2C.
What is the InChIKey of N-ethyl-1-methyl-2-[[methyl(5,6,7,8-tetrahydroquinolin-8-yl)amino]methyl]benzimidazole-4-carboxamide?
The InChIKey is MVOWQMJFRPGHCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H27N5O/c1-4-23-22(28)16-10-6-12-18-21(16)25-19(27(18)3)14-26(2)17-11-5-8-15-9-7-13-24-20(15)17/h6-7,9-10,12-13,17H,4-5,8,11,14H2,1-3H3,(H,23,28).
What are the key properties of N-ethyl-1-methyl-2-[[methyl(5,6,7,8-tetrahydroquinolin-8-yl)amino]methyl]benzimidazole-4-carboxamide?
N-ethyl-1-methyl-2-[[methyl(5,6,7,8-tetrahydroquinolin-8-yl)amino]methyl]benzimidazole-4-carboxamide has a molecular weight of 377.49 g/mol, XLogP of 3.23, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-1-methyl-2-[[methyl(5,6,7,8-tetrahydroquinolin-8-yl)amino]methyl]benzimidazole-4-carboxamide is sourced from PubChem (CID 143191526), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).