2-(4-chloro-5-methylpyrazol-1-yl)-N-[1-[2-(diethylamino)ethyl]benzimidazol-2-yl]acetamide

C19H25ClN6O — CID 19520547

IUPAC2-(4-chloro-5-methylpyrazol-1-yl)-N-[1-[2-(diethylamino)ethyl]benzimidazol-2-yl]acetamide
SMILESCCN(CC)CCn1c(NC(=O)Cn2ncc(Cl)c2C)nc2ccccc21
InChIInChI=1S/C19H25ClN6O/c1-4-24(5-2)10-11-25-17-9-7-6-8-16(17)22-19(25)23-18(27)13-26-14(3)15(20)12-21-26/h6-9,12H,4-5,10-11,13H2,1-3H3,(H,22,23,27)
InChIKeyQCFQIFUBZCZPMI-UHFFFAOYSA-N
MW388.90 g/mol
LogP3.18
Rot. Bonds8

About 2-(4-chloro-5-methylpyrazol-1-yl)-N-[1-[2-(diethylamino)ethyl]benzimidazol-2-yl]acetamide

2-(4-chloro-5-methylpyrazol-1-yl)-N-[1-[2-(diethylamino)ethyl]benzimidazol-2-yl]acetamide (PubChem CID 19520547) has the molecular formula C19H25ClN6O and a molecular weight of 388.90 g/mol. Its IUPAC name is 2-(4-chloro-5-methylpyrazol-1-yl)-N-[1-[2-(diethylamino)ethyl]benzimidazol-2-yl]acetamide.

Molecular Properties

Compound Name2-(4-chloro-5-methylpyrazol-1-yl)-N-[1-[2-(diethylamino)ethyl]benzimidazol-2-yl]acetamide
PubChem CID19520547
Molecular FormulaC19H25ClN6O
Molecular Weight388.90 g/mol
Exact Mass388.18
IUPAC Name2-(4-chloro-5-methylpyrazol-1-yl)-N-[1-[2-(diethylamino)ethyl]benzimidazol-2-yl]acetamide
SMILESCCN(CC)CCn1c(NC(=O)Cn2ncc(Cl)c2C)nc2ccccc21
InChIInChI=1S/C19H25ClN6O/c1-4-24(5-2)10-11-25-17-9-7-6-8-16(17)22-19(25)23-18(27)13-26-14(3)15(20)12-21-26/h6-9,12H,4-5,10-11,13H2,1-3H3,(H,22,23,27)
InChIKeyQCFQIFUBZCZPMI-UHFFFAOYSA-N
XLogP3.18
TPSA67.98 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.90
LogP ≤ 53.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-chloro-N-[1-[2-(diethylamino)ethyl]benzimidazol-2-yl]acetamide
CID 6611163
2-[2-[[1-[2-(diethylamino)ethyl]benzimidazol-2-yl]amino]-2-oxoethyl]pyrazole-3-carboxylic acid
CID 19482801
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-oxo-4-thiophen-2-yltetrazol-1-yl)acetamide
CID 18289502
2-[(3aS,7aS)-1,3-dioxo-3a,4,5,6,7,7a-hexahydroisoindol-2-yl]-N-[1-[2-(diethylamino)ethyl]benzimidazol-2-yl]acetamide
CID 40604553
N-[1-[2-(diethylamino)ethyl]benzimidazol-2-yl]-1-ethylpyrazole-4-carboxamide
CID 19280963
N-[1-[2-(diethylamino)ethyl]benzimidazol-2-yl]-2-methylpyrazole-3-carboxamide
CID 19475551
N-[1-[2-(diethylamino)ethyl]benzimidazol-2-yl]-4-(2,5-dimethylthiophen-3-yl)-4-oxobutanamide
CID 46692768
2-[(4-chlorophenoxy)methyl]-N-[1-[2-(diethylamino)ethyl]benzimidazol-2-yl]pyrazole-3-carboxamide
CID 19507320
N-[1-[2-(diethylamino)ethyl]benzimidazol-2-yl]-1-phenylpyrazole-3-carboxamide
CID 55652120
N-[1-[2-(diethylamino)ethyl]benzimidazol-2-yl]-3-(2,4-dioxoquinazolin-1-yl)propanamide
CID 52549619
2-(4-bromopyrazol-1-yl)-N-[1-[2-(diethylamino)ethyl]benzimidazol-2-yl]butanamide
CID 19549724

Frequently Asked Questions

What is the IUPAC name of 2-(4-chloro-5-methylpyrazol-1-yl)-N-[1-[2-(diethylamino)ethyl]benzimidazol-2-yl]acetamide?
The IUPAC name of 2-(4-chloro-5-methylpyrazol-1-yl)-N-[1-[2-(diethylamino)ethyl]benzimidazol-2-yl]acetamide (CID 19520547) is 2-(4-chloro-5-methylpyrazol-1-yl)-N-[1-[2-(diethylamino)ethyl]benzimidazol-2-yl]acetamide.
What is the SMILES notation for 2-(4-chloro-5-methylpyrazol-1-yl)-N-[1-[2-(diethylamino)ethyl]benzimidazol-2-yl]acetamide?
The canonical SMILES for 2-(4-chloro-5-methylpyrazol-1-yl)-N-[1-[2-(diethylamino)ethyl]benzimidazol-2-yl]acetamide is CCN(CC)CCn1c(NC(=O)Cn2ncc(Cl)c2C)nc2ccccc21.
What is the InChIKey of 2-(4-chloro-5-methylpyrazol-1-yl)-N-[1-[2-(diethylamino)ethyl]benzimidazol-2-yl]acetamide?
The InChIKey is QCFQIFUBZCZPMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25ClN6O/c1-4-24(5-2)10-11-25-17-9-7-6-8-16(17)22-19(25)23-18(27)13-26-14(3)15(20)12-21-26/h6-9,12H,4-5,10-11,13H2,1-3H3,(H,22,23,27).
What are the key properties of 2-(4-chloro-5-methylpyrazol-1-yl)-N-[1-[2-(diethylamino)ethyl]benzimidazol-2-yl]acetamide?
2-(4-chloro-5-methylpyrazol-1-yl)-N-[1-[2-(diethylamino)ethyl]benzimidazol-2-yl]acetamide has a molecular weight of 388.90 g/mol, XLogP of 3.18, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chloro-5-methylpyrazol-1-yl)-N-[1-[2-(diethylamino)ethyl]benzimidazol-2-yl]acetamide is sourced from PubChem (CID 19520547), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).