2-[(2-ethyl-5-methylpyrazole-3-carbonyl)amino]-1-propylbenzimidazole-5-carboxamide

C18H22N6O2 — CID 131987457

IUPAC2-[(2-ethyl-5-methylpyrazole-3-carbonyl)amino]-1-propylbenzimidazole-5-carboxamide
SMILESCCCn1c(NC(=O)c2cc(C)nn2CC)nc2cc(C(N)=O)ccc21
InChIInChI=1S/C18H22N6O2/c1-4-8-23-14-7-6-12(16(19)25)10-13(14)20-18(23)21-17(26)15-9-11(3)22-24(15)5-2/h6-7,9-10H,4-5,8H2,1-3H3,(H2,19,25)(H,20,21,26)
InChIKeyPIFQMGNPBKIDAY-UHFFFAOYSA-N
MW354.41 g/mol
LogP2.32
Rot. Bonds6

About 2-[(2-ethyl-5-methylpyrazole-3-carbonyl)amino]-1-propylbenzimidazole-5-carboxamide

2-[(2-ethyl-5-methylpyrazole-3-carbonyl)amino]-1-propylbenzimidazole-5-carboxamide (PubChem CID 131987457) has the molecular formula C18H22N6O2 and a molecular weight of 354.41 g/mol. Its IUPAC name is 2-[(2-ethyl-5-methylpyrazole-3-carbonyl)amino]-1-propylbenzimidazole-5-carboxamide.

Molecular Properties

Compound Name2-[(2-ethyl-5-methylpyrazole-3-carbonyl)amino]-1-propylbenzimidazole-5-carboxamide
PubChem CID131987457
Molecular FormulaC18H22N6O2
Molecular Weight354.41 g/mol
Exact Mass354.18
IUPAC Name2-[(2-ethyl-5-methylpyrazole-3-carbonyl)amino]-1-propylbenzimidazole-5-carboxamide
SMILESCCCn1c(NC(=O)c2cc(C)nn2CC)nc2cc(C(N)=O)ccc21
InChIInChI=1S/C18H22N6O2/c1-4-8-23-14-7-6-12(16(19)25)10-13(14)20-18(23)21-17(26)15-9-11(3)22-24(15)5-2/h6-7,9-10H,4-5,8H2,1-3H3,(H2,19,25)(H,20,21,26)
InChIKeyPIFQMGNPBKIDAY-UHFFFAOYSA-N
XLogP2.32
TPSA107.83 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.41
LogP ≤ 52.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[(2-ethyl-5-methylpyrazole-3-carbonyl)amino]-1-propylbenzimidazole-5-carboxamide?
The IUPAC name of 2-[(2-ethyl-5-methylpyrazole-3-carbonyl)amino]-1-propylbenzimidazole-5-carboxamide (CID 131987457) is 2-[(2-ethyl-5-methylpyrazole-3-carbonyl)amino]-1-propylbenzimidazole-5-carboxamide.
What is the SMILES notation for 2-[(2-ethyl-5-methylpyrazole-3-carbonyl)amino]-1-propylbenzimidazole-5-carboxamide?
The canonical SMILES for 2-[(2-ethyl-5-methylpyrazole-3-carbonyl)amino]-1-propylbenzimidazole-5-carboxamide is CCCn1c(NC(=O)c2cc(C)nn2CC)nc2cc(C(N)=O)ccc21.
What is the InChIKey of 2-[(2-ethyl-5-methylpyrazole-3-carbonyl)amino]-1-propylbenzimidazole-5-carboxamide?
The InChIKey is PIFQMGNPBKIDAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N6O2/c1-4-8-23-14-7-6-12(16(19)25)10-13(14)20-18(23)21-17(26)15-9-11(3)22-24(15)5-2/h6-7,9-10H,4-5,8H2,1-3H3,(H2,19,25)(H,20,21,26).
What are the key properties of 2-[(2-ethyl-5-methylpyrazole-3-carbonyl)amino]-1-propylbenzimidazole-5-carboxamide?
2-[(2-ethyl-5-methylpyrazole-3-carbonyl)amino]-1-propylbenzimidazole-5-carboxamide has a molecular weight of 354.41 g/mol, XLogP of 2.32, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-ethyl-5-methylpyrazole-3-carbonyl)amino]-1-propylbenzimidazole-5-carboxamide is sourced from PubChem (CID 131987457), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).