2-[(1,3-diethylpyrazole-5-carbonyl)amino]-7-methoxy-1-propylbenzimidazole-5-carboxamide

C20H26N6O3 — CID 131997704

IUPAC2-[(1,3-diethylpyrazole-5-carbonyl)amino]-7-methoxy-1-propylbenzimidazole-5-carboxamide
SMILESCCCn1c(NC(=O)c2cc(CC)nn2CC)nc2cc(C(N)=O)cc(OC)c21
InChIInChI=1S/C20H26N6O3/c1-5-8-25-17-14(9-12(18(21)27)10-16(17)29-4)22-20(25)23-19(28)15-11-13(6-2)24-26(15)7-3/h9-11H,5-8H2,1-4H3,(H2,21,27)(H,22,23,28)
InChIKeyMRJRTCABKNRZQA-UHFFFAOYSA-N
MW398.47 g/mol
LogP2.58
Rot. Bonds8

About 2-[(1,3-diethylpyrazole-5-carbonyl)amino]-7-methoxy-1-propylbenzimidazole-5-carboxamide

2-[(1,3-diethylpyrazole-5-carbonyl)amino]-7-methoxy-1-propylbenzimidazole-5-carboxamide (PubChem CID 131997704) has the molecular formula C20H26N6O3 and a molecular weight of 398.47 g/mol. Its IUPAC name is 2-[(1,3-diethylpyrazole-5-carbonyl)amino]-7-methoxy-1-propylbenzimidazole-5-carboxamide.

Molecular Properties

Compound Name2-[(1,3-diethylpyrazole-5-carbonyl)amino]-7-methoxy-1-propylbenzimidazole-5-carboxamide
PubChem CID131997704
Molecular FormulaC20H26N6O3
Molecular Weight398.47 g/mol
Exact Mass398.21
IUPAC Name2-[(1,3-diethylpyrazole-5-carbonyl)amino]-7-methoxy-1-propylbenzimidazole-5-carboxamide
SMILESCCCn1c(NC(=O)c2cc(CC)nn2CC)nc2cc(C(N)=O)cc(OC)c21
InChIInChI=1S/C20H26N6O3/c1-5-8-25-17-14(9-12(18(21)27)10-16(17)29-4)22-20(25)23-19(28)15-11-13(6-2)24-26(15)7-3/h9-11H,5-8H2,1-4H3,(H2,21,27)(H,22,23,28)
InChIKeyMRJRTCABKNRZQA-UHFFFAOYSA-N
XLogP2.58
TPSA117.06 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.47
LogP ≤ 52.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-[(1,3-diethylpyrazole-5-carbonyl)amino]-7-methoxy-1-propylbenzimidazole-5-carboxamide?
The IUPAC name of 2-[(1,3-diethylpyrazole-5-carbonyl)amino]-7-methoxy-1-propylbenzimidazole-5-carboxamide (CID 131997704) is 2-[(1,3-diethylpyrazole-5-carbonyl)amino]-7-methoxy-1-propylbenzimidazole-5-carboxamide.
What is the SMILES notation for 2-[(1,3-diethylpyrazole-5-carbonyl)amino]-7-methoxy-1-propylbenzimidazole-5-carboxamide?
The canonical SMILES for 2-[(1,3-diethylpyrazole-5-carbonyl)amino]-7-methoxy-1-propylbenzimidazole-5-carboxamide is CCCn1c(NC(=O)c2cc(CC)nn2CC)nc2cc(C(N)=O)cc(OC)c21.
What is the InChIKey of 2-[(1,3-diethylpyrazole-5-carbonyl)amino]-7-methoxy-1-propylbenzimidazole-5-carboxamide?
The InChIKey is MRJRTCABKNRZQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N6O3/c1-5-8-25-17-14(9-12(18(21)27)10-16(17)29-4)22-20(25)23-19(28)15-11-13(6-2)24-26(15)7-3/h9-11H,5-8H2,1-4H3,(H2,21,27)(H,22,23,28).
What are the key properties of 2-[(1,3-diethylpyrazole-5-carbonyl)amino]-7-methoxy-1-propylbenzimidazole-5-carboxamide?
2-[(1,3-diethylpyrazole-5-carbonyl)amino]-7-methoxy-1-propylbenzimidazole-5-carboxamide has a molecular weight of 398.47 g/mol, XLogP of 2.58, 8 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1,3-diethylpyrazole-5-carbonyl)amino]-7-methoxy-1-propylbenzimidazole-5-carboxamide is sourced from PubChem (CID 131997704), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).