1-(4-chlorophenyl)-N-[(1-methylbenzimidazol-2-yl)methyl]-5-propan-2-ylpyrazole-4-carboxamide

C22H22ClN5O — CID 55583303

IUPAC1-(4-chlorophenyl)-N-[(1-methylbenzimidazol-2-yl)methyl]-5-propan-2-ylpyrazole-4-carboxamide
SMILESCC(C)c1c(C(=O)NCc2nc3ccccc3n2C)cnn1-c1ccc(Cl)cc1
InChIInChI=1S/C22H22ClN5O/c1-14(2)21-17(12-25-28(21)16-10-8-15(23)9-11-16)22(29)24-13-20-26-18-6-4-5-7-19(18)27(20)3/h4-12,14H,13H2,1-3H3,(H,24,29)
InChIKeyDTAMCVGKPZCAFQ-UHFFFAOYSA-N
MW407.91 g/mol
LogP4.47
Rot. Bonds5

About 1-(4-chlorophenyl)-N-[(1-methylbenzimidazol-2-yl)methyl]-5-propan-2-ylpyrazole-4-carboxamide

1-(4-chlorophenyl)-N-[(1-methylbenzimidazol-2-yl)methyl]-5-propan-2-ylpyrazole-4-carboxamide (PubChem CID 55583303) has the molecular formula C22H22ClN5O and a molecular weight of 407.91 g/mol. Its IUPAC name is 1-(4-chlorophenyl)-N-[(1-methylbenzimidazol-2-yl)methyl]-5-propan-2-ylpyrazole-4-carboxamide.

Molecular Properties

Compound Name1-(4-chlorophenyl)-N-[(1-methylbenzimidazol-2-yl)methyl]-5-propan-2-ylpyrazole-4-carboxamide
PubChem CID55583303
Molecular FormulaC22H22ClN5O
Molecular Weight407.91 g/mol
Exact Mass407.15
IUPAC Name1-(4-chlorophenyl)-N-[(1-methylbenzimidazol-2-yl)methyl]-5-propan-2-ylpyrazole-4-carboxamide
SMILESCC(C)c1c(C(=O)NCc2nc3ccccc3n2C)cnn1-c1ccc(Cl)cc1
InChIInChI=1S/C22H22ClN5O/c1-14(2)21-17(12-25-28(21)16-10-8-15(23)9-11-16)22(29)24-13-20-26-18-6-4-5-7-19(18)27(20)3/h4-12,14H,13H2,1-3H3,(H,24,29)
InChIKeyDTAMCVGKPZCAFQ-UHFFFAOYSA-N
XLogP4.47
TPSA64.74 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.91
LogP ≤ 54.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-chloro-N-[(1-methylbenzimidazol-2-yl)methyl]benzamide
CID 17007407
N-(2-benzamidoethyl)-1-(4-chlorophenyl)-5-propan-2-ylpyrazole-4-carboxamide
CID 31839795
N-(2-anilino-2-oxoethyl)-1-(4-chlorophenyl)-5-propan-2-ylpyrazole-4-carboxamide
CID 55957523
1-(4-chlorophenyl)-5-propan-2-yl-N-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]pyrazole-4-carboxamide
CID 56557816
2-fluoro-N-[(1-methylbenzimidazol-2-yl)methyl]benzamide
CID 17007726
N-(3-aminobutyl)-1-(4-chlorophenyl)-5-propan-2-ylpyrazole-4-carboxamide;hydrochloride
CID 119496336
2-[1-(4-chlorophenyl)-3,5-dimethylpyrazol-4-yl]-N-[(1-methylbenzimidazol-2-yl)methyl]acetamide
CID 55756919
1-(4-chlorophenyl)-N-[[4-(dimethylamino)phenyl]methyl]-5-propan-2-ylpyrazole-4-carboxamide
CID 46578034
1-(4-chlorophenyl)-N-(3-hydroxypropyl)-5-propan-2-ylpyrazole-4-carboxamide
CID 78854387
1-(4-chlorophenyl)-N-[2-(4-methyl-5-sulfanylidene-1H-1,2,4-triazol-3-yl)ethyl]-5-propan-2-ylpyrazole-4-carboxamide
CID 56546632
1-(4-chlorophenyl)-N-[2-(diethylamino)propyl]-5-propan-2-ylpyrazole-4-carboxamide
CID 55676094
N-[[4-[(2-amino-2-oxoethyl)carbamoyl]phenyl]methyl]-1-(4-chlorophenyl)-5-propan-2-ylpyrazole-4-carboxamide
CID 60516632

Frequently Asked Questions

What is the IUPAC name of 1-(4-chlorophenyl)-N-[(1-methylbenzimidazol-2-yl)methyl]-5-propan-2-ylpyrazole-4-carboxamide?
The IUPAC name of 1-(4-chlorophenyl)-N-[(1-methylbenzimidazol-2-yl)methyl]-5-propan-2-ylpyrazole-4-carboxamide (CID 55583303) is 1-(4-chlorophenyl)-N-[(1-methylbenzimidazol-2-yl)methyl]-5-propan-2-ylpyrazole-4-carboxamide.
What is the SMILES notation for 1-(4-chlorophenyl)-N-[(1-methylbenzimidazol-2-yl)methyl]-5-propan-2-ylpyrazole-4-carboxamide?
The canonical SMILES for 1-(4-chlorophenyl)-N-[(1-methylbenzimidazol-2-yl)methyl]-5-propan-2-ylpyrazole-4-carboxamide is CC(C)c1c(C(=O)NCc2nc3ccccc3n2C)cnn1-c1ccc(Cl)cc1.
What is the InChIKey of 1-(4-chlorophenyl)-N-[(1-methylbenzimidazol-2-yl)methyl]-5-propan-2-ylpyrazole-4-carboxamide?
The InChIKey is DTAMCVGKPZCAFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22ClN5O/c1-14(2)21-17(12-25-28(21)16-10-8-15(23)9-11-16)22(29)24-13-20-26-18-6-4-5-7-19(18)27(20)3/h4-12,14H,13H2,1-3H3,(H,24,29).
What are the key properties of 1-(4-chlorophenyl)-N-[(1-methylbenzimidazol-2-yl)methyl]-5-propan-2-ylpyrazole-4-carboxamide?
1-(4-chlorophenyl)-N-[(1-methylbenzimidazol-2-yl)methyl]-5-propan-2-ylpyrazole-4-carboxamide has a molecular weight of 407.91 g/mol, XLogP of 4.47, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chlorophenyl)-N-[(1-methylbenzimidazol-2-yl)methyl]-5-propan-2-ylpyrazole-4-carboxamide is sourced from PubChem (CID 55583303), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).