5-chloro-N-(1H-imidazol-2-ylmethyl)-2-(propylamino)benzamide

C14H17ClN4O — CID 64524778

IUPAC5-chloro-N-(1H-imidazol-2-ylmethyl)-2-(propylamino)benzamide
SMILESCCCNc1ccc(Cl)cc1C(=O)NCc1ncc[nH]1
InChIInChI=1S/C14H17ClN4O/c1-2-5-16-12-4-3-10(15)8-11(12)14(20)19-9-13-17-6-7-18-13/h3-4,6-8,16H,2,5,9H2,1H3,(H,17,18)(H,19,20)
InChIKeyHMIDMOACWTUBQS-UHFFFAOYSA-N
MW292.77 g/mol
LogP2.82
Rot. Bonds6

About 5-chloro-N-(1H-imidazol-2-ylmethyl)-2-(propylamino)benzamide

5-chloro-N-(1H-imidazol-2-ylmethyl)-2-(propylamino)benzamide (PubChem CID 64524778) has the molecular formula C14H17ClN4O and a molecular weight of 292.77 g/mol. Its IUPAC name is 5-chloro-N-(1H-imidazol-2-ylmethyl)-2-(propylamino)benzamide.

Molecular Properties

Compound Name5-chloro-N-(1H-imidazol-2-ylmethyl)-2-(propylamino)benzamide
PubChem CID64524778
Molecular FormulaC14H17ClN4O
Molecular Weight292.77 g/mol
Exact Mass292.11
IUPAC Name5-chloro-N-(1H-imidazol-2-ylmethyl)-2-(propylamino)benzamide
SMILESCCCNc1ccc(Cl)cc1C(=O)NCc1ncc[nH]1
InChIInChI=1S/C14H17ClN4O/c1-2-5-16-12-4-3-10(15)8-11(12)14(20)19-9-13-17-6-7-18-13/h3-4,6-8,16H,2,5,9H2,1H3,(H,17,18)(H,19,20)
InChIKeyHMIDMOACWTUBQS-UHFFFAOYSA-N
XLogP2.82
TPSA69.81 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.77
LogP ≤ 52.82
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

5-chloro-N-(1H-imidazol-2-yl)-2-(propylamino)benzamide
CID 63563766
5-chloro-2-(propylamino)-N-(pyridin-3-ylmethyl)benzamide
CID 62185051
5-chloro-N-(2-methylpropyl)-2-(propylamino)benzamide
CID 55042884
5-chloro-2-(propylamino)-N-(2-sulfamoylethyl)benzamide
CID 62169913
5-chloro-N-[2-(1H-imidazol-5-yl)ethyl]-2-(propylamino)benzamide
CID 65236480
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-methyl-2-(propylamino)-N-(1H-1,2,4-triazol-5-ylmethyl)benzamide
CID 64523200
N-[2-(1H-imidazol-2-yl)ethyl]-3-(propylamino)pyridine-4-carboxamide
CID 105071332
N-(1H-imidazol-2-ylmethyl)-5-(propylamino)pyrazine-2-carboxamide
CID 107375878
4-amino-2-chloro-N-(1H-imidazol-2-ylmethyl)benzamide
CID 64517590
5-chloro-N-(3-methylbutan-2-yl)-2-(propylamino)benzamide
CID 55042381

Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-(1H-imidazol-2-ylmethyl)-2-(propylamino)benzamide?
The IUPAC name of 5-chloro-N-(1H-imidazol-2-ylmethyl)-2-(propylamino)benzamide (CID 64524778) is 5-chloro-N-(1H-imidazol-2-ylmethyl)-2-(propylamino)benzamide.
What is the SMILES notation for 5-chloro-N-(1H-imidazol-2-ylmethyl)-2-(propylamino)benzamide?
The canonical SMILES for 5-chloro-N-(1H-imidazol-2-ylmethyl)-2-(propylamino)benzamide is CCCNc1ccc(Cl)cc1C(=O)NCc1ncc[nH]1.
What is the InChIKey of 5-chloro-N-(1H-imidazol-2-ylmethyl)-2-(propylamino)benzamide?
The InChIKey is HMIDMOACWTUBQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17ClN4O/c1-2-5-16-12-4-3-10(15)8-11(12)14(20)19-9-13-17-6-7-18-13/h3-4,6-8,16H,2,5,9H2,1H3,(H,17,18)(H,19,20).
What are the key properties of 5-chloro-N-(1H-imidazol-2-ylmethyl)-2-(propylamino)benzamide?
5-chloro-N-(1H-imidazol-2-ylmethyl)-2-(propylamino)benzamide has a molecular weight of 292.77 g/mol, XLogP of 2.82, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-(1H-imidazol-2-ylmethyl)-2-(propylamino)benzamide is sourced from PubChem (CID 64524778), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).