3-[(4-chloropyrazol-1-yl)methyl]-N-(1-methylbenzimidazol-2-yl)benzamide

C19H16ClN5O — CID 1314911

IUPAC3-[(4-chloropyrazol-1-yl)methyl]-N-(1-methylbenzimidazol-2-yl)benzamide
SMILESCn1c(NC(=O)c2cccc(Cn3cc(Cl)cn3)c2)nc2ccccc21
InChIInChI=1S/C19H16ClN5O/c1-24-17-8-3-2-7-16(17)22-19(24)23-18(26)14-6-4-5-13(9-14)11-25-12-15(20)10-21-25/h2-10,12H,11H2,1H3,(H,22,23,26)
InChIKeyLZXXSXRXHPFAMP-UHFFFAOYSA-N
MW365.82 g/mol
LogP3.72
Rot. Bonds4

About 3-[(4-chloropyrazol-1-yl)methyl]-N-(1-methylbenzimidazol-2-yl)benzamide

3-[(4-chloropyrazol-1-yl)methyl]-N-(1-methylbenzimidazol-2-yl)benzamide (PubChem CID 1314911) has the molecular formula C19H16ClN5O and a molecular weight of 365.82 g/mol. Its IUPAC name is 3-[(4-chloropyrazol-1-yl)methyl]-N-(1-methylbenzimidazol-2-yl)benzamide.

Molecular Properties

Compound Name3-[(4-chloropyrazol-1-yl)methyl]-N-(1-methylbenzimidazol-2-yl)benzamide
PubChem CID1314911
Molecular FormulaC19H16ClN5O
Molecular Weight365.82 g/mol
Exact Mass365.10
IUPAC Name3-[(4-chloropyrazol-1-yl)methyl]-N-(1-methylbenzimidazol-2-yl)benzamide
SMILESCn1c(NC(=O)c2cccc(Cn3cc(Cl)cn3)c2)nc2ccccc21
InChIInChI=1S/C19H16ClN5O/c1-24-17-8-3-2-7-16(17)22-19(24)23-18(26)14-6-4-5-13(9-14)11-25-12-15(20)10-21-25/h2-10,12H,11H2,1H3,(H,22,23,26)
InChIKeyLZXXSXRXHPFAMP-UHFFFAOYSA-N
XLogP3.72
TPSA64.74 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.82
LogP ≤ 53.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-[(4-chloropyrazol-1-yl)methyl]-N-(1-methylbenzimidazol-2-yl)benzamide?
The IUPAC name of 3-[(4-chloropyrazol-1-yl)methyl]-N-(1-methylbenzimidazol-2-yl)benzamide (CID 1314911) is 3-[(4-chloropyrazol-1-yl)methyl]-N-(1-methylbenzimidazol-2-yl)benzamide.
What is the SMILES notation for 3-[(4-chloropyrazol-1-yl)methyl]-N-(1-methylbenzimidazol-2-yl)benzamide?
The canonical SMILES for 3-[(4-chloropyrazol-1-yl)methyl]-N-(1-methylbenzimidazol-2-yl)benzamide is Cn1c(NC(=O)c2cccc(Cn3cc(Cl)cn3)c2)nc2ccccc21.
What is the InChIKey of 3-[(4-chloropyrazol-1-yl)methyl]-N-(1-methylbenzimidazol-2-yl)benzamide?
The InChIKey is LZXXSXRXHPFAMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16ClN5O/c1-24-17-8-3-2-7-16(17)22-19(24)23-18(26)14-6-4-5-13(9-14)11-25-12-15(20)10-21-25/h2-10,12H,11H2,1H3,(H,22,23,26).
What are the key properties of 3-[(4-chloropyrazol-1-yl)methyl]-N-(1-methylbenzimidazol-2-yl)benzamide?
3-[(4-chloropyrazol-1-yl)methyl]-N-(1-methylbenzimidazol-2-yl)benzamide has a molecular weight of 365.82 g/mol, XLogP of 3.72, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(4-chloropyrazol-1-yl)methyl]-N-(1-methylbenzimidazol-2-yl)benzamide is sourced from PubChem (CID 1314911), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).