2-[(4-chlorophenoxy)methyl]-N-[1-[2-(diethylamino)ethyl]benzimidazol-2-yl]pyrazole-3-carboxamide

C24H27ClN6O2 — CID 19507320

IUPAC2-[(4-chlorophenoxy)methyl]-N-[1-[2-(diethylamino)ethyl]benzimidazol-2-yl]pyrazole-3-carboxamide
SMILESCCN(CC)CCn1c(NC(=O)c2ccnn2COc2ccc(Cl)cc2)nc2ccccc21
InChIInChI=1S/C24H27ClN6O2/c1-3-29(4-2)15-16-30-21-8-6-5-7-20(21)27-24(30)28-23(32)22-13-14-26-31(22)17-33-19-11-9-18(25)10-12-19/h5-14H,3-4,15-17H2,1-2H3,(H,27,28,32)
InChIKeyRJTALLGAGXVFBD-UHFFFAOYSA-N
MW466.97 g/mol
LogP4.52
Rot. Bonds10

About 2-[(4-chlorophenoxy)methyl]-N-[1-[2-(diethylamino)ethyl]benzimidazol-2-yl]pyrazole-3-carboxamide

2-[(4-chlorophenoxy)methyl]-N-[1-[2-(diethylamino)ethyl]benzimidazol-2-yl]pyrazole-3-carboxamide (PubChem CID 19507320) has the molecular formula C24H27ClN6O2 and a molecular weight of 466.97 g/mol. Its IUPAC name is 2-[(4-chlorophenoxy)methyl]-N-[1-[2-(diethylamino)ethyl]benzimidazol-2-yl]pyrazole-3-carboxamide.

Molecular Properties

Compound Name2-[(4-chlorophenoxy)methyl]-N-[1-[2-(diethylamino)ethyl]benzimidazol-2-yl]pyrazole-3-carboxamide
PubChem CID19507320
Molecular FormulaC24H27ClN6O2
Molecular Weight466.97 g/mol
Exact Mass466.19
IUPAC Name2-[(4-chlorophenoxy)methyl]-N-[1-[2-(diethylamino)ethyl]benzimidazol-2-yl]pyrazole-3-carboxamide
SMILESCCN(CC)CCn1c(NC(=O)c2ccnn2COc2ccc(Cl)cc2)nc2ccccc21
InChIInChI=1S/C24H27ClN6O2/c1-3-29(4-2)15-16-30-21-8-6-5-7-20(21)27-24(30)28-23(32)22-13-14-26-31(22)17-33-19-11-9-18(25)10-12-19/h5-14H,3-4,15-17H2,1-2H3,(H,27,28,32)
InChIKeyRJTALLGAGXVFBD-UHFFFAOYSA-N
XLogP4.52
TPSA77.21 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds10
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500466.97
LogP ≤ 54.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 2-[(4-chlorophenoxy)methyl]-N-[1-[2-(diethylamino)ethyl]benzimidazol-2-yl]pyrazole-3-carboxamide 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

N-[1-[2-(diethylamino)ethyl]benzimidazol-2-yl]-2-methylpyrazole-3-carboxamide
CID 19475551
2-[2-[[1-[2-(diethylamino)ethyl]benzimidazol-2-yl]amino]-2-oxoethyl]pyrazole-3-carboxylic acid
CID 19482801
5-[(4-tert-butylphenoxy)methyl]-N-[1-[2-(diethylamino)ethyl]benzimidazol-2-yl]furan-2-carboxamide
CID 19450746
N-[1-[2-(diethylamino)ethyl]benzimidazol-2-yl]-1-ethylpyrazole-4-carboxamide
CID 19280963
2-chloro-N-[1-[2-(diethylamino)ethyl]benzimidazol-2-yl]acetamide
CID 6611163
5-[(2-chloro-4-fluorophenoxy)methyl]-N-[1-[2-(diethylamino)ethyl]benzimidazol-2-yl]furan-2-carboxamide
CID 19452881
N-[1-[2-(diethylamino)ethyl]benzimidazol-2-yl]-1-ethyl-5-methylpyrazole-4-carboxamide
CID 19280672
N-[1-[2-(diethylamino)ethyl]benzimidazol-2-yl]-2,5-difluorobenzamide
CID 30178740
2-(4-chloro-5-methylpyrazol-1-yl)-N-[1-[2-(diethylamino)ethyl]benzimidazol-2-yl]acetamide
CID 19520547
2-[(4-chlorophenoxy)methyl]-N-methylpyrazole-3-carboxamide
CID 19507567
N-[1-[2-(diethylamino)ethyl]benzimidazol-2-yl]-1-phenylpyrazole-3-carboxamide
CID 55652120
5-acetamido-N-[1-[2-(diethylamino)ethyl]benzimidazol-2-yl]-2-fluorobenzamide
CID 60567449

Frequently Asked Questions

What is the IUPAC name of 2-[(4-chlorophenoxy)methyl]-N-[1-[2-(diethylamino)ethyl]benzimidazol-2-yl]pyrazole-3-carboxamide?
The IUPAC name of 2-[(4-chlorophenoxy)methyl]-N-[1-[2-(diethylamino)ethyl]benzimidazol-2-yl]pyrazole-3-carboxamide (CID 19507320) is 2-[(4-chlorophenoxy)methyl]-N-[1-[2-(diethylamino)ethyl]benzimidazol-2-yl]pyrazole-3-carboxamide.
What is the SMILES notation for 2-[(4-chlorophenoxy)methyl]-N-[1-[2-(diethylamino)ethyl]benzimidazol-2-yl]pyrazole-3-carboxamide?
The canonical SMILES for 2-[(4-chlorophenoxy)methyl]-N-[1-[2-(diethylamino)ethyl]benzimidazol-2-yl]pyrazole-3-carboxamide is CCN(CC)CCn1c(NC(=O)c2ccnn2COc2ccc(Cl)cc2)nc2ccccc21.
What is the InChIKey of 2-[(4-chlorophenoxy)methyl]-N-[1-[2-(diethylamino)ethyl]benzimidazol-2-yl]pyrazole-3-carboxamide?
The InChIKey is RJTALLGAGXVFBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H27ClN6O2/c1-3-29(4-2)15-16-30-21-8-6-5-7-20(21)27-24(30)28-23(32)22-13-14-26-31(22)17-33-19-11-9-18(25)10-12-19/h5-14H,3-4,15-17H2,1-2H3,(H,27,28,32).
What are the key properties of 2-[(4-chlorophenoxy)methyl]-N-[1-[2-(diethylamino)ethyl]benzimidazol-2-yl]pyrazole-3-carboxamide?
2-[(4-chlorophenoxy)methyl]-N-[1-[2-(diethylamino)ethyl]benzimidazol-2-yl]pyrazole-3-carboxamide has a molecular weight of 466.97 g/mol, XLogP of 4.52, 10 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-chlorophenoxy)methyl]-N-[1-[2-(diethylamino)ethyl]benzimidazol-2-yl]pyrazole-3-carboxamide is sourced from PubChem (CID 19507320), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).