N-[2-(5-chloro-3-methyl-1-phenylpyrazol-4-yl)-1H-benzimidazol-4-yl]formamide

C18H14ClN5O — CID 57064361

IUPACN-[2-(5-chloro-3-methyl-1-phenylpyrazol-4-yl)-1H-benzimidazol-4-yl]formamide
SMILESCc1nn(-c2ccccc2)c(Cl)c1-c1nc2c(NC=O)cccc2[nH]1
InChIInChI=1S/C18H14ClN5O/c1-11-15(17(19)24(23-11)12-6-3-2-4-7-12)18-21-14-9-5-8-13(20-10-25)16(14)22-18/h2-10H,1H3,(H,20,25)(H,21,22)
InChIKeyCRIZVTUCHGAAKR-UHFFFAOYSA-N
MW351.80 g/mol
LogP3.95
Rot. Bonds4

About N-[2-(5-chloro-3-methyl-1-phenylpyrazol-4-yl)-1H-benzimidazol-4-yl]formamide

N-[2-(5-chloro-3-methyl-1-phenylpyrazol-4-yl)-1H-benzimidazol-4-yl]formamide (PubChem CID 57064361) has the molecular formula C18H14ClN5O and a molecular weight of 351.80 g/mol. Its IUPAC name is N-[2-(5-chloro-3-methyl-1-phenylpyrazol-4-yl)-1H-benzimidazol-4-yl]formamide.

Molecular Properties

Compound NameN-[2-(5-chloro-3-methyl-1-phenylpyrazol-4-yl)-1H-benzimidazol-4-yl]formamide
PubChem CID57064361
Molecular FormulaC18H14ClN5O
Molecular Weight351.80 g/mol
Exact Mass351.09
IUPAC NameN-[2-(5-chloro-3-methyl-1-phenylpyrazol-4-yl)-1H-benzimidazol-4-yl]formamide
SMILESCc1nn(-c2ccccc2)c(Cl)c1-c1nc2c(NC=O)cccc2[nH]1
InChIInChI=1S/C18H14ClN5O/c1-11-15(17(19)24(23-11)12-6-3-2-4-7-12)18-21-14-9-5-8-13(20-10-25)16(14)22-18/h2-10H,1H3,(H,20,25)(H,21,22)
InChIKeyCRIZVTUCHGAAKR-UHFFFAOYSA-N
XLogP3.95
TPSA75.60 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.80
LogP ≤ 53.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Related Compounds

N-[2-[1-(2,6-dimethylphenyl)pyrrol-3-yl]-1H-benzimidazol-4-yl]formamide
CID 57198710
3-[(5-chloro-3-methyl-1-phenylpyrazol-4-yl)-(2-methyl-1H-indol-3-yl)methyl]-2-methyl-1H-indole
CID 54752182
N-[(5-chloro-3-methyl-1-phenylpyrazol-4-yl)methylideneamino]-1H-benzimidazol-2-amine
CID 4573901
(5-chloro-3-methyl-1-phenylpyrazol-4-yl)methylidenehydrazine
CID 699347
N-[2-(1,4-dimethylpiperazin-2-yl)-1H-benzimidazol-4-yl]formamide
CID 57177667
propan-2-yl (E)-3-(5-chloro-3-methyl-1-phenylpyrazol-4-yl)prop-2-enoate
CID 35538457
[4-(5-chloro-3-methyl-1-phenylpyrazol-4-yl)phenyl]methanol
CID 102580261
5-chloro-N-(2-cyanophenyl)-3-methyl-1-phenylpyrazole-4-carboxamide
CID 3134520
N-(1H-benzimidazol-4-yl)formamide
CID 15710577
(2R)-2-[(5-chloro-3-methyl-1-phenylpyrazole-4-carbonyl)amino]propanoic acid
CID 91645010
1-(5-chloro-3-methyl-1-phenylpyrazol-4-yl)prop-2-en-1-ol
CID 156903975
2-[(2E)-2-[(5-chloro-3-methyl-1-phenylpyrazol-4-yl)methylidene]hydrazinyl]benzoic acid
CID 45327494

Frequently Asked Questions

What is the IUPAC name of N-[2-(5-chloro-3-methyl-1-phenylpyrazol-4-yl)-1H-benzimidazol-4-yl]formamide?
The IUPAC name of N-[2-(5-chloro-3-methyl-1-phenylpyrazol-4-yl)-1H-benzimidazol-4-yl]formamide (CID 57064361) is N-[2-(5-chloro-3-methyl-1-phenylpyrazol-4-yl)-1H-benzimidazol-4-yl]formamide.
What is the SMILES notation for N-[2-(5-chloro-3-methyl-1-phenylpyrazol-4-yl)-1H-benzimidazol-4-yl]formamide?
The canonical SMILES for N-[2-(5-chloro-3-methyl-1-phenylpyrazol-4-yl)-1H-benzimidazol-4-yl]formamide is Cc1nn(-c2ccccc2)c(Cl)c1-c1nc2c(NC=O)cccc2[nH]1.
What is the InChIKey of N-[2-(5-chloro-3-methyl-1-phenylpyrazol-4-yl)-1H-benzimidazol-4-yl]formamide?
The InChIKey is CRIZVTUCHGAAKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14ClN5O/c1-11-15(17(19)24(23-11)12-6-3-2-4-7-12)18-21-14-9-5-8-13(20-10-25)16(14)22-18/h2-10H,1H3,(H,20,25)(H,21,22).
What are the key properties of N-[2-(5-chloro-3-methyl-1-phenylpyrazol-4-yl)-1H-benzimidazol-4-yl]formamide?
N-[2-(5-chloro-3-methyl-1-phenylpyrazol-4-yl)-1H-benzimidazol-4-yl]formamide has a molecular weight of 351.80 g/mol, XLogP of 3.95, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(5-chloro-3-methyl-1-phenylpyrazol-4-yl)-1H-benzimidazol-4-yl]formamide is sourced from PubChem (CID 57064361), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).