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

C14H17ClN4O — CID 62749405

IUPAC2-chloro-N,N-dimethyl-5-[(5-methyl-1H-imidazol-4-yl)methylamino]benzamide
SMILESCc1[nH]cnc1CNc1ccc(Cl)c(C(=O)N(C)C)c1
InChIInChI=1S/C14H17ClN4O/c1-9-13(18-8-17-9)7-16-10-4-5-12(15)11(6-10)14(20)19(2)3/h4-6,8,16H,7H2,1-3H3,(H,17,18)
InChIKeyKUCKDZXWCCELLO-UHFFFAOYSA-N
MW292.77 g/mol
LogP2.69
Rot. Bonds4

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

2-chloro-N,N-dimethyl-5-[(5-methyl-1H-imidazol-4-yl)methylamino]benzamide (PubChem CID 62749405) has the molecular formula C14H17ClN4O and a molecular weight of 292.77 g/mol. Its IUPAC name is 2-chloro-N,N-dimethyl-5-[(5-methyl-1H-imidazol-4-yl)methylamino]benzamide.

Molecular Properties

Compound Name2-chloro-N,N-dimethyl-5-[(5-methyl-1H-imidazol-4-yl)methylamino]benzamide
PubChem CID62749405
Molecular FormulaC14H17ClN4O
Molecular Weight292.77 g/mol
Exact Mass292.11
IUPAC Name2-chloro-N,N-dimethyl-5-[(5-methyl-1H-imidazol-4-yl)methylamino]benzamide
SMILESCc1[nH]cnc1CNc1ccc(Cl)c(C(=O)N(C)C)c1
InChIInChI=1S/C14H17ClN4O/c1-9-13(18-8-17-9)7-16-10-4-5-12(15)11(6-10)14(20)19(2)3/h4-6,8,16H,7H2,1-3H3,(H,17,18)
InChIKeyKUCKDZXWCCELLO-UHFFFAOYSA-N
XLogP2.69
TPSA61.02 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.77
LogP ≤ 52.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 2-chloro-N,N-dimethyl-5-[(5-methyl-1H-imidazol-4-yl)methylamino]benzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-chloro-5-[(5-methyl-1H-imidazol-4-yl)methylamino]benzoic acid
CID 62741745
2-chloro-5-[(3,5-dimethyl-1H-pyrazol-4-yl)methylamino]-N,N-dimethylbenzamide
CID 43709887
2-chloro-5-[(5-chloro-1,3-thiazol-2-yl)methylamino]-N,N-dimethylbenzamide
CID 104921758
2-fluoro-5-[(5-methyl-1H-imidazol-4-yl)methylamino]benzamide
CID 62748327
2-chloro-N,N-dimethyl-5-[(2-methyl-1,3-thiazol-5-yl)methylamino]benzamide
CID 60940622
2-chloro-N,N-dimethyl-5-[(5-methylfuran-2-yl)methylamino]benzamide
CID 43709786
2-chloro-N,N-dimethyl-5-(1H-pyrrol-3-ylmethylamino)benzamide
CID 66409168
2-chloro-4-[(5-methyl-1H-imidazol-4-yl)methylamino]benzonitrile
CID 55114875
2-chloro-5-[(1,3-dimethylpyrazol-4-yl)methylamino]-N,N-dimethylbenzamide
CID 83089965
4-[(5-methyl-1H-imidazol-4-yl)methylamino]benzamide
CID 62747967
2-chloro-5-(2,3-dihydroxypropylamino)-N,N-dimethylbenzamide
CID 168593187
methyl 2-[4-[(5-methyl-1H-imidazol-4-yl)methylamino]phenoxy]acetate
CID 62748889

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N,N-dimethyl-5-[(5-methyl-1H-imidazol-4-yl)methylamino]benzamide?
The IUPAC name of 2-chloro-N,N-dimethyl-5-[(5-methyl-1H-imidazol-4-yl)methylamino]benzamide (CID 62749405) is 2-chloro-N,N-dimethyl-5-[(5-methyl-1H-imidazol-4-yl)methylamino]benzamide.
What is the SMILES notation for 2-chloro-N,N-dimethyl-5-[(5-methyl-1H-imidazol-4-yl)methylamino]benzamide?
The canonical SMILES for 2-chloro-N,N-dimethyl-5-[(5-methyl-1H-imidazol-4-yl)methylamino]benzamide is Cc1[nH]cnc1CNc1ccc(Cl)c(C(=O)N(C)C)c1.
What is the InChIKey of 2-chloro-N,N-dimethyl-5-[(5-methyl-1H-imidazol-4-yl)methylamino]benzamide?
The InChIKey is KUCKDZXWCCELLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17ClN4O/c1-9-13(18-8-17-9)7-16-10-4-5-12(15)11(6-10)14(20)19(2)3/h4-6,8,16H,7H2,1-3H3,(H,17,18).
What are the key properties of 2-chloro-N,N-dimethyl-5-[(5-methyl-1H-imidazol-4-yl)methylamino]benzamide?
2-chloro-N,N-dimethyl-5-[(5-methyl-1H-imidazol-4-yl)methylamino]benzamide has a molecular weight of 292.77 g/mol, XLogP of 2.69, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N,N-dimethyl-5-[(5-methyl-1H-imidazol-4-yl)methylamino]benzamide is sourced from PubChem (CID 62749405), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).