2-chloro-4-(4,5-dihydro-1H-imidazol-2-ylmethyl)-3-methylbenzamide

C12H14ClN3O — CID 69269725

IUPAC2-chloro-4-(4,5-dihydro-1H-imidazol-2-ylmethyl)-3-methylbenzamide
SMILESCc1c(CC2=NCCN2)ccc(C(N)=O)c1Cl
InChIInChI=1S/C12H14ClN3O/c1-7-8(6-10-15-4-5-16-10)2-3-9(11(7)13)12(14)17/h2-3H,4-6H2,1H3,(H2,14,17)(H,15,16)
InChIKeyQUOGIKUZADHTNN-UHFFFAOYSA-N
MW251.72 g/mol
LogP1.29
Rot. Bonds3

About 2-chloro-4-(4,5-dihydro-1H-imidazol-2-ylmethyl)-3-methylbenzamide

2-chloro-4-(4,5-dihydro-1H-imidazol-2-ylmethyl)-3-methylbenzamide (PubChem CID 69269725) has the molecular formula C12H14ClN3O and a molecular weight of 251.72 g/mol. Its IUPAC name is 2-chloro-4-(4,5-dihydro-1H-imidazol-2-ylmethyl)-3-methylbenzamide.

Molecular Properties

Compound Name2-chloro-4-(4,5-dihydro-1H-imidazol-2-ylmethyl)-3-methylbenzamide
PubChem CID69269725
Molecular FormulaC12H14ClN3O
Molecular Weight251.72 g/mol
Exact Mass251.08
IUPAC Name2-chloro-4-(4,5-dihydro-1H-imidazol-2-ylmethyl)-3-methylbenzamide
SMILESCc1c(CC2=NCCN2)ccc(C(N)=O)c1Cl
InChIInChI=1S/C12H14ClN3O/c1-7-8(6-10-15-4-5-16-10)2-3-9(11(7)13)12(14)17/h2-3H,4-6H2,1H3,(H2,14,17)(H,15,16)
InChIKeyQUOGIKUZADHTNN-UHFFFAOYSA-N
XLogP1.29
TPSA67.48 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.72
LogP ≤ 51.29
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)-3-methylbenzamide?
The IUPAC name of 2-chloro-4-(4,5-dihydro-1H-imidazol-2-ylmethyl)-3-methylbenzamide (CID 69269725) is 2-chloro-4-(4,5-dihydro-1H-imidazol-2-ylmethyl)-3-methylbenzamide.
What is the SMILES notation for 2-chloro-4-(4,5-dihydro-1H-imidazol-2-ylmethyl)-3-methylbenzamide?
The canonical SMILES for 2-chloro-4-(4,5-dihydro-1H-imidazol-2-ylmethyl)-3-methylbenzamide is Cc1c(CC2=NCCN2)ccc(C(N)=O)c1Cl.
What is the InChIKey of 2-chloro-4-(4,5-dihydro-1H-imidazol-2-ylmethyl)-3-methylbenzamide?
The InChIKey is QUOGIKUZADHTNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14ClN3O/c1-7-8(6-10-15-4-5-16-10)2-3-9(11(7)13)12(14)17/h2-3H,4-6H2,1H3,(H2,14,17)(H,15,16).
What are the key properties of 2-chloro-4-(4,5-dihydro-1H-imidazol-2-ylmethyl)-3-methylbenzamide?
2-chloro-4-(4,5-dihydro-1H-imidazol-2-ylmethyl)-3-methylbenzamide has a molecular weight of 251.72 g/mol, XLogP of 1.29, 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)-3-methylbenzamide is sourced from PubChem (CID 69269725), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).