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

C13H15ClN4O — CID 63563766

IUPAC5-chloro-N-(1H-imidazol-2-yl)-2-(propylamino)benzamide
SMILESCCCNc1ccc(Cl)cc1C(=O)Nc1ncc[nH]1
InChIInChI=1S/C13H15ClN4O/c1-2-5-15-11-4-3-9(14)8-10(11)12(19)18-13-16-6-7-17-13/h3-4,6-8,15H,2,5H2,1H3,(H2,16,17,18,19)
InChIKeyZXAYZROSUQVGHS-UHFFFAOYSA-N
MW278.74 g/mol
LogP3.14
Rot. Bonds5

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

5-chloro-N-(1H-imidazol-2-yl)-2-(propylamino)benzamide (PubChem CID 63563766) has the molecular formula C13H15ClN4O and a molecular weight of 278.74 g/mol. Its IUPAC name is 5-chloro-N-(1H-imidazol-2-yl)-2-(propylamino)benzamide.

Molecular Properties

Compound Name5-chloro-N-(1H-imidazol-2-yl)-2-(propylamino)benzamide
PubChem CID63563766
Molecular FormulaC13H15ClN4O
Molecular Weight278.74 g/mol
Exact Mass278.09
IUPAC Name5-chloro-N-(1H-imidazol-2-yl)-2-(propylamino)benzamide
SMILESCCCNc1ccc(Cl)cc1C(=O)Nc1ncc[nH]1
InChIInChI=1S/C13H15ClN4O/c1-2-5-15-11-4-3-9(14)8-10(11)12(19)18-13-16-6-7-17-13/h3-4,6-8,15H,2,5H2,1H3,(H2,16,17,18,19)
InChIKeyZXAYZROSUQVGHS-UHFFFAOYSA-N
XLogP3.14
TPSA69.81 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.74
LogP ≤ 53.14
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

5-chloro-N-(1H-imidazol-2-ylmethyl)-2-(propylamino)benzamide
CID 64524778
2,4-dichloro-N-(1H-imidazol-2-yl)benzamide
CID 55027572
5-chloro-N-(1H-imidazol-2-yl)-2-methoxybenzamide
CID 60967782
5-chloro-N-(4-iodophenyl)-2-(propylamino)benzamide
CID 63499868
N-(4-chloro-2-methylphenyl)-2-(propylamino)benzamide
CID 63107746
5-chloro-N-(3-methylbutan-2-yl)-2-(propylamino)benzamide
CID 55042381
5-chloro-N-(2-methylpropyl)-2-(propylamino)benzamide
CID 55042884
5-chloro-N-[2-(1H-imidazol-5-yl)ethyl]-2-(propylamino)benzamide
CID 65236480
N-(4-chlorophenyl)-5-methyl-2-(propylamino)benzamide
CID 63501109
5-chloro-N-(2-propan-2-yloxyethyl)-2-(propylamino)benzamide
CID 104765587
5-chloro-N-hexan-3-yl-2-(propylamino)benzamide
CID 63498965
5-chloro-2-(propylamino)-N-(3,3,3-trifluoropropyl)benzamide
CID 63227613

Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-(1H-imidazol-2-yl)-2-(propylamino)benzamide?
The IUPAC name of 5-chloro-N-(1H-imidazol-2-yl)-2-(propylamino)benzamide (CID 63563766) is 5-chloro-N-(1H-imidazol-2-yl)-2-(propylamino)benzamide.
What is the SMILES notation for 5-chloro-N-(1H-imidazol-2-yl)-2-(propylamino)benzamide?
The canonical SMILES for 5-chloro-N-(1H-imidazol-2-yl)-2-(propylamino)benzamide is CCCNc1ccc(Cl)cc1C(=O)Nc1ncc[nH]1.
What is the InChIKey of 5-chloro-N-(1H-imidazol-2-yl)-2-(propylamino)benzamide?
The InChIKey is ZXAYZROSUQVGHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15ClN4O/c1-2-5-15-11-4-3-9(14)8-10(11)12(19)18-13-16-6-7-17-13/h3-4,6-8,15H,2,5H2,1H3,(H2,16,17,18,19).
What are the key properties of 5-chloro-N-(1H-imidazol-2-yl)-2-(propylamino)benzamide?
5-chloro-N-(1H-imidazol-2-yl)-2-(propylamino)benzamide has a molecular weight of 278.74 g/mol, XLogP of 3.14, 5 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-yl)-2-(propylamino)benzamide is sourced from PubChem (CID 63563766), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).