N-methyl-N-(naphthalen-2-ylmethyl)-4,5,6,7-tetrahydro-3H-benzimidazole-5-carboxamide

C20H21N3O — CID 22962039

IUPACN-methyl-N-(naphthalen-2-ylmethyl)-4,5,6,7-tetrahydro-3H-benzimidazole-5-carboxamide
SMILESCN(Cc1ccc2ccccc2c1)C(=O)C1CCc2nc[nH]c2C1
InChIInChI=1S/C20H21N3O/c1-23(12-14-6-7-15-4-2-3-5-16(15)10-14)20(24)17-8-9-18-19(11-17)22-13-21-18/h2-7,10,13,17H,8-9,11-12H2,1H3,(H,21,22)
InChIKeyCFGUXNTUDHLOTD-UHFFFAOYSA-N
MW319.41 g/mol
LogP3.33
Rot. Bonds3

About N-methyl-N-(naphthalen-2-ylmethyl)-4,5,6,7-tetrahydro-3H-benzimidazole-5-carboxamide

N-methyl-N-(naphthalen-2-ylmethyl)-4,5,6,7-tetrahydro-3H-benzimidazole-5-carboxamide (PubChem CID 22962039) has the molecular formula C20H21N3O and a molecular weight of 319.41 g/mol. Its IUPAC name is N-methyl-N-(naphthalen-2-ylmethyl)-4,5,6,7-tetrahydro-3H-benzimidazole-5-carboxamide.

Molecular Properties

Compound NameN-methyl-N-(naphthalen-2-ylmethyl)-4,5,6,7-tetrahydro-3H-benzimidazole-5-carboxamide
PubChem CID22962039
Molecular FormulaC20H21N3O
Molecular Weight319.41 g/mol
Exact Mass319.17
IUPAC NameN-methyl-N-(naphthalen-2-ylmethyl)-4,5,6,7-tetrahydro-3H-benzimidazole-5-carboxamide
SMILESCN(Cc1ccc2ccccc2c1)C(=O)C1CCc2nc[nH]c2C1
InChIInChI=1S/C20H21N3O/c1-23(12-14-6-7-15-4-2-3-5-16(15)10-14)20(24)17-8-9-18-19(11-17)22-13-21-18/h2-7,10,13,17H,8-9,11-12H2,1H3,(H,21,22)
InChIKeyCFGUXNTUDHLOTD-UHFFFAOYSA-N
XLogP3.33
TPSA48.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.41
LogP ≤ 53.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[4-(4-fluorophenyl)butyl]-N-methyl-4,5,6,7-tetrahydro-3H-benzimidazole-5-carboxamide
CID 22962010
N-benzyl-N-(2-hydroxyethyl)-4,5,6,7-tetrahydro-3H-benzimidazole-5-carboxamide
CID 91628312
N-[3-(3-chlorophenoxy)propyl]-N-methyl-4,5,6,7-tetrahydro-3H-benzimidazole-5-carboxamide;molecular hydrogen;hydrochloride
CID 160532663
(4-ethylphenyl)-(4,5,6,7-tetrahydro-3H-benzimidazol-5-yl)methanone
CID 22961968
(2R)-N-methyl-N-(naphthalen-2-ylmethyl)piperidine-2-carboxamide
CID 103808154
N,N-bis(2-methoxyethyl)-4,5,6,7-tetrahydro-3H-benzimidazole-5-carboxamide
CID 91628311
1-cyclopentyl-N-methyl-N-(naphthalen-2-ylmethyl)-5-oxopyrrolidine-3-carboxamide
CID 46654933
[4-(dimethylamino)phenyl]-(4,5,6,7-tetrahydro-3H-benzimidazol-5-yl)methanone
CID 23512746
N-methyl-N-(naphthalen-2-ylmethyl)-1-prop-2-enoylpiperidine-4-carboxamide
CID 154832559
N,2-dimethyl-N-(thiophen-3-ylmethyl)-4,5,6,7-tetrahydro-3H-benzimidazole-5-carboxamide
CID 131957753
N-[(3-hydroxyphenyl)methyl]-N-methyl-4,5,6,7-tetrahydro-3H-imidazo[4,5-c]pyridine-6-carboxamide
CID 79352302
N-methyl-1-(naphthalene-1-carbonyl)-N-(naphthalen-2-ylmethyl)piperidine-4-carboxamide
CID 27848341

Frequently Asked Questions

What is the IUPAC name of N-methyl-N-(naphthalen-2-ylmethyl)-4,5,6,7-tetrahydro-3H-benzimidazole-5-carboxamide?
The IUPAC name of N-methyl-N-(naphthalen-2-ylmethyl)-4,5,6,7-tetrahydro-3H-benzimidazole-5-carboxamide (CID 22962039) is N-methyl-N-(naphthalen-2-ylmethyl)-4,5,6,7-tetrahydro-3H-benzimidazole-5-carboxamide.
What is the SMILES notation for N-methyl-N-(naphthalen-2-ylmethyl)-4,5,6,7-tetrahydro-3H-benzimidazole-5-carboxamide?
The canonical SMILES for N-methyl-N-(naphthalen-2-ylmethyl)-4,5,6,7-tetrahydro-3H-benzimidazole-5-carboxamide is CN(Cc1ccc2ccccc2c1)C(=O)C1CCc2nc[nH]c2C1.
What is the InChIKey of N-methyl-N-(naphthalen-2-ylmethyl)-4,5,6,7-tetrahydro-3H-benzimidazole-5-carboxamide?
The InChIKey is CFGUXNTUDHLOTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21N3O/c1-23(12-14-6-7-15-4-2-3-5-16(15)10-14)20(24)17-8-9-18-19(11-17)22-13-21-18/h2-7,10,13,17H,8-9,11-12H2,1H3,(H,21,22).
What are the key properties of N-methyl-N-(naphthalen-2-ylmethyl)-4,5,6,7-tetrahydro-3H-benzimidazole-5-carboxamide?
N-methyl-N-(naphthalen-2-ylmethyl)-4,5,6,7-tetrahydro-3H-benzimidazole-5-carboxamide has a molecular weight of 319.41 g/mol, XLogP of 3.33, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-(naphthalen-2-ylmethyl)-4,5,6,7-tetrahydro-3H-benzimidazole-5-carboxamide is sourced from PubChem (CID 22962039), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).