3,5-diamino-6-chloro-N-[(1-propylbenzimidazol-2-yl)methyl]pyrazine-2-carboxamide

C16H18ClN7O — CID 87324571

IUPAC3,5-diamino-6-chloro-N-[(1-propylbenzimidazol-2-yl)methyl]pyrazine-2-carboxamide
SMILESCCCn1c(CNC(=O)c2nc(Cl)c(N)nc2N)nc2ccccc21
InChIInChI=1S/C16H18ClN7O/c1-2-7-24-10-6-4-3-5-9(10)21-11(24)8-20-16(25)12-14(18)23-15(19)13(17)22-12/h3-6H,2,7-8H2,1H3,(H,20,25)(H4,18,19,23)
InChIKeyAEPAPCMYCRWVIH-UHFFFAOYSA-N
MW359.82 g/mol
LogP1.98
Rot. Bonds5

About 3,5-diamino-6-chloro-N-[(1-propylbenzimidazol-2-yl)methyl]pyrazine-2-carboxamide

3,5-diamino-6-chloro-N-[(1-propylbenzimidazol-2-yl)methyl]pyrazine-2-carboxamide (PubChem CID 87324571) has the molecular formula C16H18ClN7O and a molecular weight of 359.82 g/mol. Its IUPAC name is 3,5-diamino-6-chloro-N-[(1-propylbenzimidazol-2-yl)methyl]pyrazine-2-carboxamide.

Molecular Properties

Compound Name3,5-diamino-6-chloro-N-[(1-propylbenzimidazol-2-yl)methyl]pyrazine-2-carboxamide
PubChem CID87324571
Molecular FormulaC16H18ClN7O
Molecular Weight359.82 g/mol
Exact Mass359.13
IUPAC Name3,5-diamino-6-chloro-N-[(1-propylbenzimidazol-2-yl)methyl]pyrazine-2-carboxamide
SMILESCCCn1c(CNC(=O)c2nc(Cl)c(N)nc2N)nc2ccccc21
InChIInChI=1S/C16H18ClN7O/c1-2-7-24-10-6-4-3-5-9(10)21-11(24)8-20-16(25)12-14(18)23-15(19)13(17)22-12/h3-6H,2,7-8H2,1H3,(H,20,25)(H4,18,19,23)
InChIKeyAEPAPCMYCRWVIH-UHFFFAOYSA-N
XLogP1.98
TPSA124.74 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.82
LogP ≤ 51.98
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Related Compounds

3,5-diamino-6-chloro-N-[[1-(2-methoxyethyl)benzimidazol-2-yl]methyl]pyrazine-2-carboxamide
CID 87324506
3,5-diamino-6-chloro-N-[(6-ethoxy-1-ethylbenzimidazol-2-yl)methyl]pyrazine-2-carboxamide
CID 87324299
ethyl 2-[[(3,5-diamino-6-chloropyrazine-2-carbonyl)amino]methyl]-3-ethylbenzimidazole-4-carboxylate
CID 122419574
2-methoxy-N-[(1-propylbenzimidazol-2-yl)methyl]benzamide
CID 17007570
2-[2-[[(3,5-diamino-6-chloropyrazine-2-carbonyl)amino]methyl]-3-ethylbenzimidazole-5-carbonyl]sulfanylbutanoic acid
CID 87324359
3,5-diamino-6-chloro-N-[(1,3-diethylbenzimidazol-3-ium-2-yl)methyl]pyrazine-2-carboxamide
CID 53258353
2-(4-phenylphenyl)-N-[(1-propylbenzimidazol-2-yl)methyl]acetamide
CID 16971391
3-chloro-N-[(1-propylbenzimidazol-2-yl)methyl]-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine-2-carboxamide
CID 91959562
2-[[(3,5-diamino-6-chloropyrazine-2-carbonyl)amino]methyl]-3-ethyl-6-fluorobenzimidazole-5-carboxylic acid
CID 122420228
2-(2-chlorophenyl)-N-[2-(1-propylbenzimidazol-2-yl)ethyl]acetamide
CID 16979229
3-chloro-N-[(1-octadecylbenzimidazol-2-yl)methyl]benzamide
CID 17008230
methyl 3-[2-[[(3,5-diamino-6-chloropyrazine-2-carbonyl)amino]methyl]-3-ethylbenzimidazol-5-yl]sulfanylpropanoate
CID 87324143

Frequently Asked Questions

What is the IUPAC name of 3,5-diamino-6-chloro-N-[(1-propylbenzimidazol-2-yl)methyl]pyrazine-2-carboxamide?
The IUPAC name of 3,5-diamino-6-chloro-N-[(1-propylbenzimidazol-2-yl)methyl]pyrazine-2-carboxamide (CID 87324571) is 3,5-diamino-6-chloro-N-[(1-propylbenzimidazol-2-yl)methyl]pyrazine-2-carboxamide.
What is the SMILES notation for 3,5-diamino-6-chloro-N-[(1-propylbenzimidazol-2-yl)methyl]pyrazine-2-carboxamide?
The canonical SMILES for 3,5-diamino-6-chloro-N-[(1-propylbenzimidazol-2-yl)methyl]pyrazine-2-carboxamide is CCCn1c(CNC(=O)c2nc(Cl)c(N)nc2N)nc2ccccc21.
What is the InChIKey of 3,5-diamino-6-chloro-N-[(1-propylbenzimidazol-2-yl)methyl]pyrazine-2-carboxamide?
The InChIKey is AEPAPCMYCRWVIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18ClN7O/c1-2-7-24-10-6-4-3-5-9(10)21-11(24)8-20-16(25)12-14(18)23-15(19)13(17)22-12/h3-6H,2,7-8H2,1H3,(H,20,25)(H4,18,19,23).
What are the key properties of 3,5-diamino-6-chloro-N-[(1-propylbenzimidazol-2-yl)methyl]pyrazine-2-carboxamide?
3,5-diamino-6-chloro-N-[(1-propylbenzimidazol-2-yl)methyl]pyrazine-2-carboxamide has a molecular weight of 359.82 g/mol, XLogP of 1.98, 5 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-diamino-6-chloro-N-[(1-propylbenzimidazol-2-yl)methyl]pyrazine-2-carboxamide is sourced from PubChem (CID 87324571), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).