5-chloro-N-[2-(1H-imidazol-5-yl)ethyl]-2-(propylamino)benzamide

C15H19ClN4O — CID 65236480

IUPAC5-chloro-N-[2-(1H-imidazol-5-yl)ethyl]-2-(propylamino)benzamide
SMILESCCCNc1ccc(Cl)cc1C(=O)NCCc1cnc[nH]1
InChIInChI=1S/C15H19ClN4O/c1-2-6-18-14-4-3-11(16)8-13(14)15(21)19-7-5-12-9-17-10-20-12/h3-4,8-10,18H,2,5-7H2,1H3,(H,17,20)(H,19,21)
InChIKeyIHKAERVJHBSTGO-UHFFFAOYSA-N
MW306.80 g/mol
LogP2.86
Rot. Bonds7

About 5-chloro-N-[2-(1H-imidazol-5-yl)ethyl]-2-(propylamino)benzamide

5-chloro-N-[2-(1H-imidazol-5-yl)ethyl]-2-(propylamino)benzamide (PubChem CID 65236480) has the molecular formula C15H19ClN4O and a molecular weight of 306.80 g/mol. Its IUPAC name is 5-chloro-N-[2-(1H-imidazol-5-yl)ethyl]-2-(propylamino)benzamide.

Molecular Properties

Compound Name5-chloro-N-[2-(1H-imidazol-5-yl)ethyl]-2-(propylamino)benzamide
PubChem CID65236480
Molecular FormulaC15H19ClN4O
Molecular Weight306.80 g/mol
Exact Mass306.12
IUPAC Name5-chloro-N-[2-(1H-imidazol-5-yl)ethyl]-2-(propylamino)benzamide
SMILESCCCNc1ccc(Cl)cc1C(=O)NCCc1cnc[nH]1
InChIInChI=1S/C15H19ClN4O/c1-2-6-18-14-4-3-11(16)8-13(14)15(21)19-7-5-12-9-17-10-20-12/h3-4,8-10,18H,2,5-7H2,1H3,(H,17,20)(H,19,21)
InChIKeyIHKAERVJHBSTGO-UHFFFAOYSA-N
XLogP2.86
TPSA69.81 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.80
LogP ≤ 52.86
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

4-chloro-2-ethynyl-N-[2-(1H-imidazol-5-yl)ethyl]benzamide
CID 87493952
5-bromo-N-[2-(1H-imidazol-5-yl)ethyl]-2-(propylamino)pyridine-3-carboxamide
CID 65236933
5-chloro-N-(2-propan-2-yloxyethyl)-2-(propylamino)benzamide
CID 104765587
5-chloro-2-(propylamino)-N-(3,3,3-trifluoropropyl)benzamide
CID 63227613
5-chloro-N-(2-methylpropyl)-2-(propylamino)benzamide
CID 55042884
5-chloro-2-(propylamino)-N-(pyridin-3-ylmethyl)benzamide
CID 62185051
5-chloro-N-(1H-imidazol-2-ylmethyl)-2-(propylamino)benzamide
CID 64524778
5-chloro-2-(propylamino)-N-(2-sulfamoylethyl)benzamide
CID 62169913
3-chloro-N-[2-(1H-imidazol-5-yl)ethyl]pyridine-4-carboxamide
CID 66483968
methyl 5-chloro-2-(1H-imidazol-5-ylmethylamino)benzoate
CID 62761924
5-amino-2-fluoro-N-[2-(1H-imidazol-5-yl)ethyl]benzamide
CID 65230532
2-[(4-chlorophenyl)methyl]-N-[2-(1H-imidazol-5-yl)ethyl]benzamide
CID 46987858

Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-[2-(1H-imidazol-5-yl)ethyl]-2-(propylamino)benzamide?
The IUPAC name of 5-chloro-N-[2-(1H-imidazol-5-yl)ethyl]-2-(propylamino)benzamide (CID 65236480) is 5-chloro-N-[2-(1H-imidazol-5-yl)ethyl]-2-(propylamino)benzamide.
What is the SMILES notation for 5-chloro-N-[2-(1H-imidazol-5-yl)ethyl]-2-(propylamino)benzamide?
The canonical SMILES for 5-chloro-N-[2-(1H-imidazol-5-yl)ethyl]-2-(propylamino)benzamide is CCCNc1ccc(Cl)cc1C(=O)NCCc1cnc[nH]1.
What is the InChIKey of 5-chloro-N-[2-(1H-imidazol-5-yl)ethyl]-2-(propylamino)benzamide?
The InChIKey is IHKAERVJHBSTGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19ClN4O/c1-2-6-18-14-4-3-11(16)8-13(14)15(21)19-7-5-12-9-17-10-20-12/h3-4,8-10,18H,2,5-7H2,1H3,(H,17,20)(H,19,21).
What are the key properties of 5-chloro-N-[2-(1H-imidazol-5-yl)ethyl]-2-(propylamino)benzamide?
5-chloro-N-[2-(1H-imidazol-5-yl)ethyl]-2-(propylamino)benzamide has a molecular weight of 306.80 g/mol, XLogP of 2.86, 7 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-[2-(1H-imidazol-5-yl)ethyl]-2-(propylamino)benzamide is sourced from PubChem (CID 65236480), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).