2-chloro-4-(4,5-dihydro-1H-imidazol-2-ylmethyl)benzamide

C11H12ClN3O — CID 23513000

IUPAC2-chloro-4-(4,5-dihydro-1H-imidazol-2-ylmethyl)benzamide
SMILESNC(=O)c1ccc(CC2=NCCN2)cc1Cl
InChIInChI=1S/C11H12ClN3O/c12-9-5-7(1-2-8(9)11(13)16)6-10-14-3-4-15-10/h1-2,5H,3-4,6H2,(H2,13,16)(H,14,15)
InChIKeyHXGJLXWOKLMEJM-UHFFFAOYSA-N
MW237.69 g/mol
LogP0.98
Rot. Bonds3

About 2-chloro-4-(4,5-dihydro-1H-imidazol-2-ylmethyl)benzamide

2-chloro-4-(4,5-dihydro-1H-imidazol-2-ylmethyl)benzamide (PubChem CID 23513000) has the molecular formula C11H12ClN3O and a molecular weight of 237.69 g/mol. Its IUPAC name is 2-chloro-4-(4,5-dihydro-1H-imidazol-2-ylmethyl)benzamide.

Molecular Properties

Compound Name2-chloro-4-(4,5-dihydro-1H-imidazol-2-ylmethyl)benzamide
PubChem CID23513000
Molecular FormulaC11H12ClN3O
Molecular Weight237.69 g/mol
Exact Mass237.07
IUPAC Name2-chloro-4-(4,5-dihydro-1H-imidazol-2-ylmethyl)benzamide
SMILESNC(=O)c1ccc(CC2=NCCN2)cc1Cl
InChIInChI=1S/C11H12ClN3O/c12-9-5-7(1-2-8(9)11(13)16)6-10-14-3-4-15-10/h1-2,5H,3-4,6H2,(H2,13,16)(H,14,15)
InChIKeyHXGJLXWOKLMEJM-UHFFFAOYSA-N
XLogP0.98
TPSA67.48 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.69
LogP ≤ 50.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-chloro-4-(4,5-dihydro-1H-imidazol-2-ylmethyl)benzamide?
The IUPAC name of 2-chloro-4-(4,5-dihydro-1H-imidazol-2-ylmethyl)benzamide (CID 23513000) is 2-chloro-4-(4,5-dihydro-1H-imidazol-2-ylmethyl)benzamide.
What is the SMILES notation for 2-chloro-4-(4,5-dihydro-1H-imidazol-2-ylmethyl)benzamide?
The canonical SMILES for 2-chloro-4-(4,5-dihydro-1H-imidazol-2-ylmethyl)benzamide is NC(=O)c1ccc(CC2=NCCN2)cc1Cl.
What is the InChIKey of 2-chloro-4-(4,5-dihydro-1H-imidazol-2-ylmethyl)benzamide?
The InChIKey is HXGJLXWOKLMEJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12ClN3O/c12-9-5-7(1-2-8(9)11(13)16)6-10-14-3-4-15-10/h1-2,5H,3-4,6H2,(H2,13,16)(H,14,15).
What are the key properties of 2-chloro-4-(4,5-dihydro-1H-imidazol-2-ylmethyl)benzamide?
2-chloro-4-(4,5-dihydro-1H-imidazol-2-ylmethyl)benzamide has a molecular weight of 237.69 g/mol, XLogP of 0.98, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-4-(4,5-dihydro-1H-imidazol-2-ylmethyl)benzamide is sourced from PubChem (CID 23513000), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).