2-(2,3-dichlorophenyl)-N-[5-(5,6-dimethyl-1H-benzimidazol-2-yl)-1H-pyrazol-3-yl]acetamide

C20H17Cl2N5O — CID 135750659

IUPAC2-(2,3-dichlorophenyl)-N-[5-(5,6-dimethyl-1H-benzimidazol-2-yl)-1H-pyrazol-3-yl]acetamide
SMILESCc1cc2nc(-c3cc(NC(=O)Cc4cccc(Cl)c4Cl)n[nH]3)[nH]c2cc1C
InChIInChI=1S/C20H17Cl2N5O/c1-10-6-14-15(7-11(10)2)24-20(23-14)16-9-17(27-26-16)25-18(28)8-12-4-3-5-13(21)19(12)22/h3-7,9H,8H2,1-2H3,(H,23,24)(H2,25,26,27,28)
InChIKeyPCOCKYDTFFDPGP-UHFFFAOYSA-N
MW414.30 g/mol
LogP5.06
Rot. Bonds4

About 2-(2,3-dichlorophenyl)-N-[5-(5,6-dimethyl-1H-benzimidazol-2-yl)-1H-pyrazol-3-yl]acetamide

2-(2,3-dichlorophenyl)-N-[5-(5,6-dimethyl-1H-benzimidazol-2-yl)-1H-pyrazol-3-yl]acetamide (PubChem CID 135750659) has the molecular formula C20H17Cl2N5O and a molecular weight of 414.30 g/mol. Its IUPAC name is 2-(2,3-dichlorophenyl)-N-[5-(5,6-dimethyl-1H-benzimidazol-2-yl)-1H-pyrazol-3-yl]acetamide.

Molecular Properties

Compound Name2-(2,3-dichlorophenyl)-N-[5-(5,6-dimethyl-1H-benzimidazol-2-yl)-1H-pyrazol-3-yl]acetamide
PubChem CID135750659
Molecular FormulaC20H17Cl2N5O
Molecular Weight414.30 g/mol
Exact Mass413.08
IUPAC Name2-(2,3-dichlorophenyl)-N-[5-(5,6-dimethyl-1H-benzimidazol-2-yl)-1H-pyrazol-3-yl]acetamide
SMILESCc1cc2nc(-c3cc(NC(=O)Cc4cccc(Cl)c4Cl)n[nH]3)[nH]c2cc1C
InChIInChI=1S/C20H17Cl2N5O/c1-10-6-14-15(7-11(10)2)24-20(23-14)16-9-17(27-26-16)25-18(28)8-12-4-3-5-13(21)19(12)22/h3-7,9H,8H2,1-2H3,(H,23,24)(H2,25,26,27,28)
InChIKeyPCOCKYDTFFDPGP-UHFFFAOYSA-N
XLogP5.06
TPSA86.46 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500414.30
LogP ≤ 55.06
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

N-[5-(1H-benzimidazol-2-yl)-1H-pyrazol-3-yl]acetamide
CID 155161491
N-[5-(1H-benzimidazol-2-yl)-1H-pyrazol-3-yl]-3-chloro-4-methylbenzamide
CID 164954521
N-[5-(5,6-dimethyl-1H-benzimidazol-2-yl)-1H-pyrazol-3-yl]benzenesulfonamide
CID 135750786
N-[3-(5-chloro-6-methyl-1H-benzimidazol-2-yl)phenyl]-2-(4-chlorophenoxy)acetamide
CID 54858671
2-(5-chloronaphthalen-1-yl)-5,6-dimethyl-1H-benzimidazole
CID 56737110
2-(4-chloro-1H-indazol-3-yl)-5,6-dimethyl-1H-benzimidazole
CID 135804648
2-chloro-6-(5,6-dimethyl-1H-benzimidazol-2-yl)aniline
CID 107049902
3-chloro-N-[5-(6-fluoro-1H-benzimidazol-2-yl)-1H-pyrazol-3-yl]-4-methoxybenzamide
CID 155161295
N-[4-(5-chloro-6-methyl-1H-benzimidazol-2-yl)phenyl]-2-(4-chloro-3-methylphenoxy)acetamide
CID 54859094
N-(5-chloropyrimidin-2-yl)-2-(2,6-dichlorophenyl)-6-methyl-1H-benzimidazole-5-carboxamide
CID 143659641
2-(2-chlorophenyl)-N-(5-propyl-1H-pyrazol-3-yl)acetamide
CID 115619750
N-[5-(1H-benzimidazol-2-yl)-1H-pyrazol-3-yl]-3-chloro-4-(2-methoxyethylamino)benzamide
CID 163227858

Frequently Asked Questions

What is the IUPAC name of 2-(2,3-dichlorophenyl)-N-[5-(5,6-dimethyl-1H-benzimidazol-2-yl)-1H-pyrazol-3-yl]acetamide?
The IUPAC name of 2-(2,3-dichlorophenyl)-N-[5-(5,6-dimethyl-1H-benzimidazol-2-yl)-1H-pyrazol-3-yl]acetamide (CID 135750659) is 2-(2,3-dichlorophenyl)-N-[5-(5,6-dimethyl-1H-benzimidazol-2-yl)-1H-pyrazol-3-yl]acetamide.
What is the SMILES notation for 2-(2,3-dichlorophenyl)-N-[5-(5,6-dimethyl-1H-benzimidazol-2-yl)-1H-pyrazol-3-yl]acetamide?
The canonical SMILES for 2-(2,3-dichlorophenyl)-N-[5-(5,6-dimethyl-1H-benzimidazol-2-yl)-1H-pyrazol-3-yl]acetamide is Cc1cc2nc(-c3cc(NC(=O)Cc4cccc(Cl)c4Cl)n[nH]3)[nH]c2cc1C.
What is the InChIKey of 2-(2,3-dichlorophenyl)-N-[5-(5,6-dimethyl-1H-benzimidazol-2-yl)-1H-pyrazol-3-yl]acetamide?
The InChIKey is PCOCKYDTFFDPGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17Cl2N5O/c1-10-6-14-15(7-11(10)2)24-20(23-14)16-9-17(27-26-16)25-18(28)8-12-4-3-5-13(21)19(12)22/h3-7,9H,8H2,1-2H3,(H,23,24)(H2,25,26,27,28).
What are the key properties of 2-(2,3-dichlorophenyl)-N-[5-(5,6-dimethyl-1H-benzimidazol-2-yl)-1H-pyrazol-3-yl]acetamide?
2-(2,3-dichlorophenyl)-N-[5-(5,6-dimethyl-1H-benzimidazol-2-yl)-1H-pyrazol-3-yl]acetamide has a molecular weight of 414.30 g/mol, XLogP of 5.06, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,3-dichlorophenyl)-N-[5-(5,6-dimethyl-1H-benzimidazol-2-yl)-1H-pyrazol-3-yl]acetamide is sourced from PubChem (CID 135750659), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).