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

C13H14ClN3O — CID 110666505

IUPAC4-chloro-N-[2-(2-methyl-1H-imidazol-5-yl)ethyl]benzamide
SMILESCc1ncc(CCNC(=O)c2ccc(Cl)cc2)[nH]1
InChIInChI=1S/C13H14ClN3O/c1-9-16-8-12(17-9)6-7-15-13(18)10-2-4-11(14)5-3-10/h2-5,8H,6-7H2,1H3,(H,15,18)(H,16,17)
InChIKeyUVJFZRNQQKAVHW-UHFFFAOYSA-N
MW263.73 g/mol
LogP2.34
Rot. Bonds4

About 4-chloro-N-[2-(2-methyl-1H-imidazol-5-yl)ethyl]benzamide

4-chloro-N-[2-(2-methyl-1H-imidazol-5-yl)ethyl]benzamide (PubChem CID 110666505) has the molecular formula C13H14ClN3O and a molecular weight of 263.73 g/mol. Its IUPAC name is 4-chloro-N-[2-(2-methyl-1H-imidazol-5-yl)ethyl]benzamide.

Molecular Properties

Compound Name4-chloro-N-[2-(2-methyl-1H-imidazol-5-yl)ethyl]benzamide
PubChem CID110666505
Molecular FormulaC13H14ClN3O
Molecular Weight263.73 g/mol
Exact Mass263.08
IUPAC Name4-chloro-N-[2-(2-methyl-1H-imidazol-5-yl)ethyl]benzamide
SMILESCc1ncc(CCNC(=O)c2ccc(Cl)cc2)[nH]1
InChIInChI=1S/C13H14ClN3O/c1-9-16-8-12(17-9)6-7-15-13(18)10-2-4-11(14)5-3-10/h2-5,8H,6-7H2,1H3,(H,15,18)(H,16,17)
InChIKeyUVJFZRNQQKAVHW-UHFFFAOYSA-N
XLogP2.34
TPSA57.78 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.73
LogP ≤ 52.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2,3,4-trifluoro-N-[2-(2-methyl-1H-imidazol-5-yl)ethyl]benzamide
CID 110666512
3-acetamido-N-[2-(2-methyl-1H-imidazol-5-yl)ethyl]benzamide
CID 110666440
3-(dimethylamino)-N-[2-(2-methyl-1H-imidazol-5-yl)ethyl]benzamide
CID 110666436
4-chloro-N-[2-(1H-pyrazol-5-yl)ethyl]benzamide
CID 110731802
N-[2-[2-[3-[2-(4-chlorophenyl)propan-2-ylamino]propyl]-1H-imidazol-5-yl]ethyl]benzamide
CID 67750394
2-[(4-chlorobenzoyl)amino]ethylcarbamic acid
CID 19741762
1-tert-butyl-3-[2-(2-methyl-1H-imidazol-5-yl)ethyl]urea
CID 110666641
tert-butyl N-[2-[2-(4-chlorophenyl)-1H-imidazol-5-yl]ethyl]carbamate;N-[2-[2-(4-chlorophenyl)-1H-imidazol-5-yl]ethyl]-4-fluorobenzamide;iodoform;methane
CID 163647784
2-(4-methoxyphenyl)-N-[2-(2-methyl-1H-imidazol-5-yl)ethyl]acetamide
CID 110666491
N-[2-(4-chlorophenyl)ethyl]-4-fluorobenzamide
CID 737426
4-chloro-N-[8-[(4-chlorobenzoyl)amino]octyl]benzamide
CID 3606775
4-chloro-N-(2-methoxyethyl)benzamide
CID 3457742

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-[2-(2-methyl-1H-imidazol-5-yl)ethyl]benzamide?
The IUPAC name of 4-chloro-N-[2-(2-methyl-1H-imidazol-5-yl)ethyl]benzamide (CID 110666505) is 4-chloro-N-[2-(2-methyl-1H-imidazol-5-yl)ethyl]benzamide.
What is the SMILES notation for 4-chloro-N-[2-(2-methyl-1H-imidazol-5-yl)ethyl]benzamide?
The canonical SMILES for 4-chloro-N-[2-(2-methyl-1H-imidazol-5-yl)ethyl]benzamide is Cc1ncc(CCNC(=O)c2ccc(Cl)cc2)[nH]1.
What is the InChIKey of 4-chloro-N-[2-(2-methyl-1H-imidazol-5-yl)ethyl]benzamide?
The InChIKey is UVJFZRNQQKAVHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14ClN3O/c1-9-16-8-12(17-9)6-7-15-13(18)10-2-4-11(14)5-3-10/h2-5,8H,6-7H2,1H3,(H,15,18)(H,16,17).
What are the key properties of 4-chloro-N-[2-(2-methyl-1H-imidazol-5-yl)ethyl]benzamide?
4-chloro-N-[2-(2-methyl-1H-imidazol-5-yl)ethyl]benzamide has a molecular weight of 263.73 g/mol, XLogP of 2.34, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-[2-(2-methyl-1H-imidazol-5-yl)ethyl]benzamide is sourced from PubChem (CID 110666505), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).