1-[1-(6-chloronaphthalen-1-yl)-4-hydroxypentan-3-yl]imidazole-4-carboxamide

C19H20ClN3O2 — CID 10269741

IUPAC1-[1-(6-chloronaphthalen-1-yl)-4-hydroxypentan-3-yl]imidazole-4-carboxamide
SMILESCC(O)C(CCc1cccc2cc(Cl)ccc12)n1cnc(C(N)=O)c1
InChIInChI=1S/C19H20ClN3O2/c1-12(24)18(23-10-17(19(21)25)22-11-23)8-5-13-3-2-4-14-9-15(20)6-7-16(13)14/h2-4,6-7,9-12,18,24H,5,8H2,1H3,(H2,21,25)
InChIKeyXFOUGAZDIWTSKC-UHFFFAOYSA-N
MW357.84 g/mol
LogP3.34
Rot. Bonds6

About 1-[1-(6-chloronaphthalen-1-yl)-4-hydroxypentan-3-yl]imidazole-4-carboxamide

1-[1-(6-chloronaphthalen-1-yl)-4-hydroxypentan-3-yl]imidazole-4-carboxamide (PubChem CID 10269741) has the molecular formula C19H20ClN3O2 and a molecular weight of 357.84 g/mol. Its IUPAC name is 1-[1-(6-chloronaphthalen-1-yl)-4-hydroxypentan-3-yl]imidazole-4-carboxamide.

Molecular Properties

Compound Name1-[1-(6-chloronaphthalen-1-yl)-4-hydroxypentan-3-yl]imidazole-4-carboxamide
PubChem CID10269741
Molecular FormulaC19H20ClN3O2
Molecular Weight357.84 g/mol
Exact Mass357.12
IUPAC Name1-[1-(6-chloronaphthalen-1-yl)-4-hydroxypentan-3-yl]imidazole-4-carboxamide
SMILESCC(O)C(CCc1cccc2cc(Cl)ccc12)n1cnc(C(N)=O)c1
InChIInChI=1S/C19H20ClN3O2/c1-12(24)18(23-10-17(19(21)25)22-11-23)8-5-13-3-2-4-14-9-15(20)6-7-16(13)14/h2-4,6-7,9-12,18,24H,5,8H2,1H3,(H2,21,25)
InChIKeyXFOUGAZDIWTSKC-UHFFFAOYSA-N
XLogP3.34
TPSA81.14 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.84
LogP ≤ 53.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 1-[1-(6-chloronaphthalen-1-yl)-4-hydroxypentan-3-yl]imidazole-4-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-[1-(6-chloronaphthalen-1-yl)-4-hydroxypentan-3-yl]imidazole-4-carboxamide?
The IUPAC name of 1-[1-(6-chloronaphthalen-1-yl)-4-hydroxypentan-3-yl]imidazole-4-carboxamide (CID 10269741) is 1-[1-(6-chloronaphthalen-1-yl)-4-hydroxypentan-3-yl]imidazole-4-carboxamide.
What is the SMILES notation for 1-[1-(6-chloronaphthalen-1-yl)-4-hydroxypentan-3-yl]imidazole-4-carboxamide?
The canonical SMILES for 1-[1-(6-chloronaphthalen-1-yl)-4-hydroxypentan-3-yl]imidazole-4-carboxamide is CC(O)C(CCc1cccc2cc(Cl)ccc12)n1cnc(C(N)=O)c1.
What is the InChIKey of 1-[1-(6-chloronaphthalen-1-yl)-4-hydroxypentan-3-yl]imidazole-4-carboxamide?
The InChIKey is XFOUGAZDIWTSKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20ClN3O2/c1-12(24)18(23-10-17(19(21)25)22-11-23)8-5-13-3-2-4-14-9-15(20)6-7-16(13)14/h2-4,6-7,9-12,18,24H,5,8H2,1H3,(H2,21,25).
What are the key properties of 1-[1-(6-chloronaphthalen-1-yl)-4-hydroxypentan-3-yl]imidazole-4-carboxamide?
1-[1-(6-chloronaphthalen-1-yl)-4-hydroxypentan-3-yl]imidazole-4-carboxamide has a molecular weight of 357.84 g/mol, XLogP of 3.34, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(6-chloronaphthalen-1-yl)-4-hydroxypentan-3-yl]imidazole-4-carboxamide is sourced from PubChem (CID 10269741), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).