N-butyl-2-(naphthalen-1-ylmethyl)-4,5-dihydroimidazole-1-carboxamide

C19H23N3O — CID 610516

IUPACN-butyl-2-(naphthalen-1-ylmethyl)-4,5-dihydroimidazole-1-carboxamide
SMILESCCCCNC(=O)N1CCN=C1Cc1cccc2ccccc12
InChIInChI=1S/C19H23N3O/c1-2-3-11-21-19(23)22-13-12-20-18(22)14-16-9-6-8-15-7-4-5-10-17(15)16/h4-10H,2-3,11-14H2,1H3,(H,21,23)
InChIKeyDMFLBFRVOGYSTG-UHFFFAOYSA-N
MW309.41 g/mol
LogP3.61
Rot. Bonds5

About N-butyl-2-(naphthalen-1-ylmethyl)-4,5-dihydroimidazole-1-carboxamide

N-butyl-2-(naphthalen-1-ylmethyl)-4,5-dihydroimidazole-1-carboxamide (PubChem CID 610516) has the molecular formula C19H23N3O and a molecular weight of 309.41 g/mol. Its IUPAC name is N-butyl-2-(naphthalen-1-ylmethyl)-4,5-dihydroimidazole-1-carboxamide.

Molecular Properties

Compound NameN-butyl-2-(naphthalen-1-ylmethyl)-4,5-dihydroimidazole-1-carboxamide
PubChem CID610516
Molecular FormulaC19H23N3O
Molecular Weight309.41 g/mol
Exact Mass309.18
IUPAC NameN-butyl-2-(naphthalen-1-ylmethyl)-4,5-dihydroimidazole-1-carboxamide
SMILESCCCCNC(=O)N1CCN=C1Cc1cccc2ccccc12
InChIInChI=1S/C19H23N3O/c1-2-3-11-21-19(23)22-13-12-20-18(22)14-16-9-6-8-15-7-4-5-10-17(15)16/h4-10H,2-3,11-14H2,1H3,(H,21,23)
InChIKeyDMFLBFRVOGYSTG-UHFFFAOYSA-N
XLogP3.61
TPSA44.70 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.41
LogP ≤ 53.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

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N-butyl-2-[2-(naphthalen-1-ylmethyl)benzimidazol-1-yl]acetamide
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2-naphthalen-1-yl-N-[2-oxo-2-[[2-oxo-2-(propylamino)ethyl]amino]ethyl]acetamide
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N-butyl-2-(naphthalen-1-ylcarbamothioylamino)acetamide
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CID 166180094

Frequently Asked Questions

What is the IUPAC name of N-butyl-2-(naphthalen-1-ylmethyl)-4,5-dihydroimidazole-1-carboxamide?
The IUPAC name of N-butyl-2-(naphthalen-1-ylmethyl)-4,5-dihydroimidazole-1-carboxamide (CID 610516) is N-butyl-2-(naphthalen-1-ylmethyl)-4,5-dihydroimidazole-1-carboxamide.
What is the SMILES notation for N-butyl-2-(naphthalen-1-ylmethyl)-4,5-dihydroimidazole-1-carboxamide?
The canonical SMILES for N-butyl-2-(naphthalen-1-ylmethyl)-4,5-dihydroimidazole-1-carboxamide is CCCCNC(=O)N1CCN=C1Cc1cccc2ccccc12.
What is the InChIKey of N-butyl-2-(naphthalen-1-ylmethyl)-4,5-dihydroimidazole-1-carboxamide?
The InChIKey is DMFLBFRVOGYSTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N3O/c1-2-3-11-21-19(23)22-13-12-20-18(22)14-16-9-6-8-15-7-4-5-10-17(15)16/h4-10H,2-3,11-14H2,1H3,(H,21,23).
What are the key properties of N-butyl-2-(naphthalen-1-ylmethyl)-4,5-dihydroimidazole-1-carboxamide?
N-butyl-2-(naphthalen-1-ylmethyl)-4,5-dihydroimidazole-1-carboxamide has a molecular weight of 309.41 g/mol, XLogP of 3.61, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-butyl-2-(naphthalen-1-ylmethyl)-4,5-dihydroimidazole-1-carboxamide is sourced from PubChem (CID 610516), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).