1-(3,5-diamino-6-chloropyrazin-2-yl)-3-(6-methoxy-1H-benzimidazol-2-yl)propan-1-one

C15H15ClN6O2 — CID 88939516

IUPAC1-(3,5-diamino-6-chloropyrazin-2-yl)-3-(6-methoxy-1H-benzimidazol-2-yl)propan-1-one
SMILESCOc1ccc2nc(CCC(=O)c3nc(Cl)c(N)nc3N)[nH]c2c1
InChIInChI=1S/C15H15ClN6O2/c1-24-7-2-3-8-9(6-7)20-11(19-8)5-4-10(23)12-14(17)22-15(18)13(16)21-12/h2-3,6H,4-5H2,1H3,(H,19,20)(H4,17,18,22)
InChIKeyMWZRBAWUUAVZQP-UHFFFAOYSA-N
MW346.78 g/mol
LogP1.99
Rot. Bonds5

About 1-(3,5-diamino-6-chloropyrazin-2-yl)-3-(6-methoxy-1H-benzimidazol-2-yl)propan-1-one

1-(3,5-diamino-6-chloropyrazin-2-yl)-3-(6-methoxy-1H-benzimidazol-2-yl)propan-1-one (PubChem CID 88939516) has the molecular formula C15H15ClN6O2 and a molecular weight of 346.78 g/mol. Its IUPAC name is 1-(3,5-diamino-6-chloropyrazin-2-yl)-3-(6-methoxy-1H-benzimidazol-2-yl)propan-1-one.

Molecular Properties

Compound Name1-(3,5-diamino-6-chloropyrazin-2-yl)-3-(6-methoxy-1H-benzimidazol-2-yl)propan-1-one
PubChem CID88939516
Molecular FormulaC15H15ClN6O2
Molecular Weight346.78 g/mol
Exact Mass346.09
IUPAC Name1-(3,5-diamino-6-chloropyrazin-2-yl)-3-(6-methoxy-1H-benzimidazol-2-yl)propan-1-one
SMILESCOc1ccc2nc(CCC(=O)c3nc(Cl)c(N)nc3N)[nH]c2c1
InChIInChI=1S/C15H15ClN6O2/c1-24-7-2-3-8-9(6-7)20-11(19-8)5-4-10(23)12-14(17)22-15(18)13(16)21-12/h2-3,6H,4-5H2,1H3,(H,19,20)(H4,17,18,22)
InChIKeyMWZRBAWUUAVZQP-UHFFFAOYSA-N
XLogP1.99
TPSA132.80 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.78
LogP ≤ 51.99
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Analyze 1-(3,5-diamino-6-chloropyrazin-2-yl)-3-(6-methoxy-1H-benzimidazol-2-yl)propan-1-one with MolForge

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Related Compounds

4-(6-methoxy-1H-benzimidazol-2-yl)butan-2-amine
CID 65018041
2-(6-methoxy-1H-benzimidazol-2-yl)-N-methylethanamine;hydrochloride
CID 72942363
2-hexyl-6-methoxy-1H-benzimidazole
CID 114753150
2-(chloromethyl)-6-methoxy-1H-benzimidazole;methane;(6-methoxy-1H-benzimidazol-2-yl)methanol
CID 161003256
4-[(6-methoxy-1H-benzimidazol-2-yl)methoxy]aniline
CID 65017728
N-[2-(6-methoxy-1H-benzimidazol-2-yl)ethyl]-2-methylpropan-2-amine
CID 65017857
N-[2-(6-methoxy-1H-benzimidazol-2-yl)ethyl]thiomorpholine-4-carboxamide
CID 119069776
N-[(6-methoxy-1H-benzimidazol-2-yl)methyl]-2-(methylamino)-1,3-thiazole-4-carboxamide
CID 131915305
N-[2-(6-methoxy-1H-benzimidazol-2-yl)ethyl]hexan-1-amine
CID 82336889
3-methyl-2-[(2-propyl-3H-benzimidazol-5-yl)oxy]butanoic acid
CID 84816308
6-methoxy-2-[(3-methoxyphenyl)methyl]-1H-benzimidazole
CID 65017876
5,6-dichloro-2-[2-(4-methoxyphenyl)ethyl]-1H-benzimidazole
CID 82005586

Frequently Asked Questions

What is the IUPAC name of 1-(3,5-diamino-6-chloropyrazin-2-yl)-3-(6-methoxy-1H-benzimidazol-2-yl)propan-1-one?
The IUPAC name of 1-(3,5-diamino-6-chloropyrazin-2-yl)-3-(6-methoxy-1H-benzimidazol-2-yl)propan-1-one (CID 88939516) is 1-(3,5-diamino-6-chloropyrazin-2-yl)-3-(6-methoxy-1H-benzimidazol-2-yl)propan-1-one.
What is the SMILES notation for 1-(3,5-diamino-6-chloropyrazin-2-yl)-3-(6-methoxy-1H-benzimidazol-2-yl)propan-1-one?
The canonical SMILES for 1-(3,5-diamino-6-chloropyrazin-2-yl)-3-(6-methoxy-1H-benzimidazol-2-yl)propan-1-one is COc1ccc2nc(CCC(=O)c3nc(Cl)c(N)nc3N)[nH]c2c1.
What is the InChIKey of 1-(3,5-diamino-6-chloropyrazin-2-yl)-3-(6-methoxy-1H-benzimidazol-2-yl)propan-1-one?
The InChIKey is MWZRBAWUUAVZQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15ClN6O2/c1-24-7-2-3-8-9(6-7)20-11(19-8)5-4-10(23)12-14(17)22-15(18)13(16)21-12/h2-3,6H,4-5H2,1H3,(H,19,20)(H4,17,18,22).
What are the key properties of 1-(3,5-diamino-6-chloropyrazin-2-yl)-3-(6-methoxy-1H-benzimidazol-2-yl)propan-1-one?
1-(3,5-diamino-6-chloropyrazin-2-yl)-3-(6-methoxy-1H-benzimidazol-2-yl)propan-1-one has a molecular weight of 346.78 g/mol, XLogP of 1.99, 5 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,5-diamino-6-chloropyrazin-2-yl)-3-(6-methoxy-1H-benzimidazol-2-yl)propan-1-one is sourced from PubChem (CID 88939516), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).