N-(5-chloro-1-methylbenzimidazol-2-yl)-3-(1,3,5-trimethylpyrazol-4-yl)propanamide

C17H20ClN5O — CID 51099093

IUPACN-(5-chloro-1-methylbenzimidazol-2-yl)-3-(1,3,5-trimethylpyrazol-4-yl)propanamide
SMILESCc1nn(C)c(C)c1CCC(=O)Nc1nc2cc(Cl)ccc2n1C
InChIInChI=1S/C17H20ClN5O/c1-10-13(11(2)23(4)21-10)6-8-16(24)20-17-19-14-9-12(18)5-7-15(14)22(17)3/h5,7,9H,6,8H2,1-4H3,(H,19,20,24)
InChIKeyLFLISCOJEJESHZ-UHFFFAOYSA-N
MW345.83 g/mol
LogP3.15
Rot. Bonds4

About N-(5-chloro-1-methylbenzimidazol-2-yl)-3-(1,3,5-trimethylpyrazol-4-yl)propanamide

N-(5-chloro-1-methylbenzimidazol-2-yl)-3-(1,3,5-trimethylpyrazol-4-yl)propanamide (PubChem CID 51099093) has the molecular formula C17H20ClN5O and a molecular weight of 345.83 g/mol. Its IUPAC name is N-(5-chloro-1-methylbenzimidazol-2-yl)-3-(1,3,5-trimethylpyrazol-4-yl)propanamide.

Molecular Properties

Compound NameN-(5-chloro-1-methylbenzimidazol-2-yl)-3-(1,3,5-trimethylpyrazol-4-yl)propanamide
PubChem CID51099093
Molecular FormulaC17H20ClN5O
Molecular Weight345.83 g/mol
Exact Mass345.14
IUPAC NameN-(5-chloro-1-methylbenzimidazol-2-yl)-3-(1,3,5-trimethylpyrazol-4-yl)propanamide
SMILESCc1nn(C)c(C)c1CCC(=O)Nc1nc2cc(Cl)ccc2n1C
InChIInChI=1S/C17H20ClN5O/c1-10-13(11(2)23(4)21-10)6-8-16(24)20-17-19-14-9-12(18)5-7-15(14)22(17)3/h5,7,9H,6,8H2,1-4H3,(H,19,20,24)
InChIKeyLFLISCOJEJESHZ-UHFFFAOYSA-N
XLogP3.15
TPSA64.74 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.83
LogP ≤ 53.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[5-chloro-2-(dimethylamino)phenyl]-3-(1,3,5-trimethylpyrazol-4-yl)propanamide
CID 131890592
5-chloro-N-methyl-2-[3-(1,3,5-trimethylpyrazol-4-yl)propanoylamino]benzamide
CID 51090118
N-[(4-chlorophenyl)methyl]-3-(1,3,5-trimethylpyrazol-4-yl)propanamide
CID 41360467
N-[2-[(5-chloro-1-methylbenzimidazol-2-yl)amino]-2-oxoethyl]cyclopropanecarboxamide
CID 71935646
N-[2-[(5-chloro-1-methylbenzimidazol-2-yl)amino]-2-oxoethyl]furan-3-carboxamide
CID 51099324
N-[5-chloro-2-[3-(1,3,5-trimethylpyrazol-4-yl)propanoylamino]phenyl]furan-2-carboxamide
CID 55645164
5-bromo-N-[2-[(5-chloro-1-methylbenzimidazol-2-yl)amino]-2-oxoethyl]furan-2-carboxamide
CID 52793296
N-(2-methyl-1-benzofuran-5-yl)-3-(1,3,5-trimethylpyrazol-4-yl)propanamide
CID 131942160
N-[2-(4-chloroanilino)-2-oxoethyl]-N-methyl-3-(1,3,5-trimethylpyrazol-4-yl)propanamide
CID 41377657
3-amino-N-(5-fluoro-1-methylbenzimidazol-2-yl)propanamide
CID 119342267
N-(4-methylsulfonylphenyl)-3-(1,3,5-trimethylpyrazol-4-yl)propanamide
CID 51290114
N-(5-chloro-1-methylbenzimidazol-2-yl)-2-[(5-methyl-1,2-oxazol-3-yl)methoxy]acetamide
CID 146142178

Frequently Asked Questions

What is the IUPAC name of N-(5-chloro-1-methylbenzimidazol-2-yl)-3-(1,3,5-trimethylpyrazol-4-yl)propanamide?
The IUPAC name of N-(5-chloro-1-methylbenzimidazol-2-yl)-3-(1,3,5-trimethylpyrazol-4-yl)propanamide (CID 51099093) is N-(5-chloro-1-methylbenzimidazol-2-yl)-3-(1,3,5-trimethylpyrazol-4-yl)propanamide.
What is the SMILES notation for N-(5-chloro-1-methylbenzimidazol-2-yl)-3-(1,3,5-trimethylpyrazol-4-yl)propanamide?
The canonical SMILES for N-(5-chloro-1-methylbenzimidazol-2-yl)-3-(1,3,5-trimethylpyrazol-4-yl)propanamide is Cc1nn(C)c(C)c1CCC(=O)Nc1nc2cc(Cl)ccc2n1C.
What is the InChIKey of N-(5-chloro-1-methylbenzimidazol-2-yl)-3-(1,3,5-trimethylpyrazol-4-yl)propanamide?
The InChIKey is LFLISCOJEJESHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20ClN5O/c1-10-13(11(2)23(4)21-10)6-8-16(24)20-17-19-14-9-12(18)5-7-15(14)22(17)3/h5,7,9H,6,8H2,1-4H3,(H,19,20,24).
What are the key properties of N-(5-chloro-1-methylbenzimidazol-2-yl)-3-(1,3,5-trimethylpyrazol-4-yl)propanamide?
N-(5-chloro-1-methylbenzimidazol-2-yl)-3-(1,3,5-trimethylpyrazol-4-yl)propanamide has a molecular weight of 345.83 g/mol, XLogP of 3.15, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-chloro-1-methylbenzimidazol-2-yl)-3-(1,3,5-trimethylpyrazol-4-yl)propanamide is sourced from PubChem (CID 51099093), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).