N-(2-methyl-1-propylbenzimidazol-5-yl)-3-(1-methylpyrazol-4-yl)propanamide

C18H23N5O — CID 131942241

IUPACN-(2-methyl-1-propylbenzimidazol-5-yl)-3-(1-methylpyrazol-4-yl)propanamide
SMILESCCCn1c(C)nc2cc(NC(=O)CCc3cnn(C)c3)ccc21
InChIInChI=1S/C18H23N5O/c1-4-9-23-13(2)20-16-10-15(6-7-17(16)23)21-18(24)8-5-14-11-19-22(3)12-14/h6-7,10-12H,4-5,8-9H2,1-3H3,(H,21,24)
InChIKeyFLHKYCHGZKGFPQ-UHFFFAOYSA-N
MW325.42 g/mol
LogP3.06
Rot. Bonds6

About N-(2-methyl-1-propylbenzimidazol-5-yl)-3-(1-methylpyrazol-4-yl)propanamide

N-(2-methyl-1-propylbenzimidazol-5-yl)-3-(1-methylpyrazol-4-yl)propanamide (PubChem CID 131942241) has the molecular formula C18H23N5O and a molecular weight of 325.42 g/mol. Its IUPAC name is N-(2-methyl-1-propylbenzimidazol-5-yl)-3-(1-methylpyrazol-4-yl)propanamide.

Molecular Properties

Compound NameN-(2-methyl-1-propylbenzimidazol-5-yl)-3-(1-methylpyrazol-4-yl)propanamide
PubChem CID131942241
Molecular FormulaC18H23N5O
Molecular Weight325.42 g/mol
Exact Mass325.19
IUPAC NameN-(2-methyl-1-propylbenzimidazol-5-yl)-3-(1-methylpyrazol-4-yl)propanamide
SMILESCCCn1c(C)nc2cc(NC(=O)CCc3cnn(C)c3)ccc21
InChIInChI=1S/C18H23N5O/c1-4-9-23-13(2)20-16-10-15(6-7-17(16)23)21-18(24)8-5-14-11-19-22(3)12-14/h6-7,10-12H,4-5,8-9H2,1-3H3,(H,21,24)
InChIKeyFLHKYCHGZKGFPQ-UHFFFAOYSA-N
XLogP3.06
TPSA64.74 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.42
LogP ≤ 53.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(2-methyl-1-propylbenzimidazol-5-yl)-3-pyridin-4-ylpropanamide
CID 131927243
2-(1,3-benzodioxol-5-yl)-N-(2-methyl-1-propylbenzimidazol-5-yl)acetamide
CID 131951300
3-(1-methylpyrazol-4-yl)-N-naphthalen-2-ylpropanamide
CID 78905445
N-(1,2-dimethylbenzimidazol-5-yl)butanamide
CID 965373
2-[(4-fluorophenyl)methyl-methylamino]-N-(2-methyl-1-propylbenzimidazol-5-yl)acetamide
CID 131952394
N-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-3-(1-methylpyrazol-4-yl)propanamide
CID 60527071
N-(3-methoxyphenyl)-3-(1-methylpyrazol-4-yl)propanamide
CID 35532642
dimethyl (E)-2-[(2-methyl-1-propylbenzimidazol-5-yl)amino]but-2-enedioate
CID 168570679
3-(1-methylpyrazol-4-yl)-N-[4-(3-methylpyrazol-1-yl)phenyl]propanamide
CID 35536101
N-(5-amino-2-methylphenyl)-3-(1-methylpyrazol-4-yl)propanamide;dihydrochloride
CID 120568841
3-(1-methylpyrazol-4-yl)-N-[3-(pyrrolidin-1-ylmethyl)phenyl]propanamide
CID 131933215
2-chloro-N-cyclopropyl-5-[3-(1-methylpyrazol-4-yl)propanoylamino]benzamide
CID 87026477

Frequently Asked Questions

What is the IUPAC name of N-(2-methyl-1-propylbenzimidazol-5-yl)-3-(1-methylpyrazol-4-yl)propanamide?
The IUPAC name of N-(2-methyl-1-propylbenzimidazol-5-yl)-3-(1-methylpyrazol-4-yl)propanamide (CID 131942241) is N-(2-methyl-1-propylbenzimidazol-5-yl)-3-(1-methylpyrazol-4-yl)propanamide.
What is the SMILES notation for N-(2-methyl-1-propylbenzimidazol-5-yl)-3-(1-methylpyrazol-4-yl)propanamide?
The canonical SMILES for N-(2-methyl-1-propylbenzimidazol-5-yl)-3-(1-methylpyrazol-4-yl)propanamide is CCCn1c(C)nc2cc(NC(=O)CCc3cnn(C)c3)ccc21.
What is the InChIKey of N-(2-methyl-1-propylbenzimidazol-5-yl)-3-(1-methylpyrazol-4-yl)propanamide?
The InChIKey is FLHKYCHGZKGFPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N5O/c1-4-9-23-13(2)20-16-10-15(6-7-17(16)23)21-18(24)8-5-14-11-19-22(3)12-14/h6-7,10-12H,4-5,8-9H2,1-3H3,(H,21,24).
What are the key properties of N-(2-methyl-1-propylbenzimidazol-5-yl)-3-(1-methylpyrazol-4-yl)propanamide?
N-(2-methyl-1-propylbenzimidazol-5-yl)-3-(1-methylpyrazol-4-yl)propanamide has a molecular weight of 325.42 g/mol, XLogP of 3.06, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methyl-1-propylbenzimidazol-5-yl)-3-(1-methylpyrazol-4-yl)propanamide is sourced from PubChem (CID 131942241), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).