4-chloro-N-[2-(1-ethylbenzimidazol-2-yl)-5-methylpyrazol-3-yl]benzamide

C20H18ClN5O — CID 23848230

IUPAC4-chloro-N-[2-(1-ethylbenzimidazol-2-yl)-5-methylpyrazol-3-yl]benzamide
SMILESCCn1c(-n2nc(C)cc2NC(=O)c2ccc(Cl)cc2)nc2ccccc21
InChIInChI=1S/C20H18ClN5O/c1-3-25-17-7-5-4-6-16(17)22-20(25)26-18(12-13(2)24-26)23-19(27)14-8-10-15(21)11-9-14/h4-12H,3H2,1-2H3,(H,23,27)
InChIKeyKDDDPWJLJVMQHP-UHFFFAOYSA-N
MW379.85 g/mol
LogP4.46
Rot. Bonds4

About 4-chloro-N-[2-(1-ethylbenzimidazol-2-yl)-5-methylpyrazol-3-yl]benzamide

4-chloro-N-[2-(1-ethylbenzimidazol-2-yl)-5-methylpyrazol-3-yl]benzamide (PubChem CID 23848230) has the molecular formula C20H18ClN5O and a molecular weight of 379.85 g/mol. Its IUPAC name is 4-chloro-N-[2-(1-ethylbenzimidazol-2-yl)-5-methylpyrazol-3-yl]benzamide.

Molecular Properties

Compound Name4-chloro-N-[2-(1-ethylbenzimidazol-2-yl)-5-methylpyrazol-3-yl]benzamide
PubChem CID23848230
Molecular FormulaC20H18ClN5O
Molecular Weight379.85 g/mol
Exact Mass379.12
IUPAC Name4-chloro-N-[2-(1-ethylbenzimidazol-2-yl)-5-methylpyrazol-3-yl]benzamide
SMILESCCn1c(-n2nc(C)cc2NC(=O)c2ccc(Cl)cc2)nc2ccccc21
InChIInChI=1S/C20H18ClN5O/c1-3-25-17-7-5-4-6-16(17)22-20(25)26-18(12-13(2)24-26)23-19(27)14-8-10-15(21)11-9-14/h4-12H,3H2,1-2H3,(H,23,27)
InChIKeyKDDDPWJLJVMQHP-UHFFFAOYSA-N
XLogP4.46
TPSA64.74 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.85
LogP ≤ 54.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[2-[1-[(4-chlorophenyl)methyl]benzimidazol-2-yl]-5-methylpyrazol-3-yl]-4-nitrobenzamide
CID 23861808
N-[2-[1-[(4-chlorophenyl)methyl]benzimidazol-2-yl]-5-methylpyrazol-3-yl]-2-fluorobenzamide
CID 3484830
N-[2-[1-[(2-chloro-6-fluorophenyl)methyl]benzimidazol-2-yl]-5-methylpyrazol-3-yl]-4-methoxybenzamide
CID 23936504
4-fluoro-N-[5-methyl-2-(1-methylbenzimidazol-2-yl)pyrazol-3-yl]benzamide
CID 23959240
N-[2-(1-benzylbenzimidazol-2-yl)-5-methylpyrazol-3-yl]-3,4,5-trimethoxybenzamide
CID 23761240
N-[2-[1-[(2-chloro-6-fluorophenyl)methyl]benzimidazol-2-yl]-5-methylpyrazol-3-yl]-3,5-dinitrobenzamide
CID 23932625
4-chloro-N-[2-(3-chlorophenyl)-5-methylpyrazol-3-yl]benzamide
CID 2352147
5-bromo-N-[2-[1-[(3-chlorophenyl)methyl]benzimidazol-2-yl]-5-methylpyrazol-3-yl]furan-2-carboxamide
CID 23849769
4-chloro-N-[(1S)-1-(1-ethylbenzimidazol-2-yl)ethyl]benzamide
CID 751147
4-chloro-N-[5-methyl-2-(4-thiophen-2-yl-1,3-thiazol-2-yl)pyrazol-3-yl]benzamide
CID 42109166
3-chloro-N-(2-ethyl-5-methylpyrazol-3-yl)benzamide
CID 45284642
4-chloro-N-(5-methyl-2-propan-2-ylpyrazol-3-yl)benzamide
CID 45284687

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-[2-(1-ethylbenzimidazol-2-yl)-5-methylpyrazol-3-yl]benzamide?
The IUPAC name of 4-chloro-N-[2-(1-ethylbenzimidazol-2-yl)-5-methylpyrazol-3-yl]benzamide (CID 23848230) is 4-chloro-N-[2-(1-ethylbenzimidazol-2-yl)-5-methylpyrazol-3-yl]benzamide.
What is the SMILES notation for 4-chloro-N-[2-(1-ethylbenzimidazol-2-yl)-5-methylpyrazol-3-yl]benzamide?
The canonical SMILES for 4-chloro-N-[2-(1-ethylbenzimidazol-2-yl)-5-methylpyrazol-3-yl]benzamide is CCn1c(-n2nc(C)cc2NC(=O)c2ccc(Cl)cc2)nc2ccccc21.
What is the InChIKey of 4-chloro-N-[2-(1-ethylbenzimidazol-2-yl)-5-methylpyrazol-3-yl]benzamide?
The InChIKey is KDDDPWJLJVMQHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18ClN5O/c1-3-25-17-7-5-4-6-16(17)22-20(25)26-18(12-13(2)24-26)23-19(27)14-8-10-15(21)11-9-14/h4-12H,3H2,1-2H3,(H,23,27).
What are the key properties of 4-chloro-N-[2-(1-ethylbenzimidazol-2-yl)-5-methylpyrazol-3-yl]benzamide?
4-chloro-N-[2-(1-ethylbenzimidazol-2-yl)-5-methylpyrazol-3-yl]benzamide has a molecular weight of 379.85 g/mol, XLogP of 4.46, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-[2-(1-ethylbenzimidazol-2-yl)-5-methylpyrazol-3-yl]benzamide is sourced from PubChem (CID 23848230), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).