N'-[4-(dimethylamino)-2-formylthieno[2,3-b]pyridin-3-yl]-N-(2-methyl-3H-benzimidazol-5-yl)methanimidamide

C19H18N6OS — CID 143487458

IUPACN'-[4-(dimethylamino)-2-formylthieno[2,3-b]pyridin-3-yl]-N-(2-methyl-3H-benzimidazol-5-yl)methanimidamide
SMILESCc1nc2ccc(N/C=N/c3c(C=O)sc4nccc(N(C)C)c34)cc2[nH]1
InChIInChI=1S/C19H18N6OS/c1-11-23-13-5-4-12(8-14(13)24-11)21-10-22-18-16(9-26)27-19-17(18)15(25(2)3)6-7-20-19/h4-10H,1-3H3,(H,21,22)(H,23,24)
InChIKeyWMHLAHZFVASBJH-UHFFFAOYSA-N
MW378.46 g/mol
LogP4.13
Rot. Bonds5

About N'-[4-(dimethylamino)-2-formylthieno[2,3-b]pyridin-3-yl]-N-(2-methyl-3H-benzimidazol-5-yl)methanimidamide

N'-[4-(dimethylamino)-2-formylthieno[2,3-b]pyridin-3-yl]-N-(2-methyl-3H-benzimidazol-5-yl)methanimidamide (PubChem CID 143487458) has the molecular formula C19H18N6OS and a molecular weight of 378.46 g/mol. Its IUPAC name is N'-[4-(dimethylamino)-2-formylthieno[2,3-b]pyridin-3-yl]-N-(2-methyl-3H-benzimidazol-5-yl)methanimidamide.

Molecular Properties

Compound NameN'-[4-(dimethylamino)-2-formylthieno[2,3-b]pyridin-3-yl]-N-(2-methyl-3H-benzimidazol-5-yl)methanimidamide
PubChem CID143487458
Molecular FormulaC19H18N6OS
Molecular Weight378.46 g/mol
Exact Mass378.13
IUPAC NameN'-[4-(dimethylamino)-2-formylthieno[2,3-b]pyridin-3-yl]-N-(2-methyl-3H-benzimidazol-5-yl)methanimidamide
SMILESCc1nc2ccc(N/C=N/c3c(C=O)sc4nccc(N(C)C)c34)cc2[nH]1
InChIInChI=1S/C19H18N6OS/c1-11-23-13-5-4-12(8-14(13)24-11)21-10-22-18-16(9-26)27-19-17(18)15(25(2)3)6-7-20-19/h4-10H,1-3H3,(H,21,22)(H,23,24)
InChIKeyWMHLAHZFVASBJH-UHFFFAOYSA-N
XLogP4.13
TPSA86.27 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.46
LogP ≤ 54.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Related Compounds

N'-[4-(dimethylamino)-2-formylthieno[2,3-b]pyridin-3-yl]methanimidamide;ethane;dihydrochloride
CID 143159738
N'-[4-(dimethylamino)-2-formylthieno[2,3-b]pyridin-3-yl]-N-(3-fluoro-4-hydroxycyclohexa-1,5-dien-1-yl)methanimidamide;ethane
CID 143487336
4-methyl-2-(2-methyl-3H-benzimidazol-5-yl)-1,3-thiazole-5-carbaldehyde
CID 116885674
2-methyl-N-(1,3-thiazol-5-ylmethyl)-3H-benzimidazol-5-amine
CID 62759070
3-[(2-methyl-3H-benzimidazol-5-yl)amino]propanoic acid
CID 82493805
1-methyl-2-(2-methyl-3H-benzimidazol-5-yl)hydrazine
CID 170206143
2,2-dimethyl-N'-(2-methyl-3H-benzimidazol-5-yl)propane-1,3-diamine
CID 115199843
N-[2-methyl-2-(2-methyl-3H-benzimidazol-5-yl)propyl]formamide
CID 19840426
N-[(3-bromothiophen-2-yl)methyl]-2-methyl-3H-benzimidazol-5-amine
CID 113298016
3-methyl-1-N-(2-methyl-3H-benzimidazol-5-yl)butane-1,3-diamine
CID 115200406
2-methyl-N-(thiophen-2-ylmethyl)-3H-benzimidazol-5-amine
CID 43746402
2-methyl-N-(pyridin-2-ylmethylideneamino)-3H-benzimidazole-5-carboxamide
CID 693866

Frequently Asked Questions

What is the IUPAC name of N'-[4-(dimethylamino)-2-formylthieno[2,3-b]pyridin-3-yl]-N-(2-methyl-3H-benzimidazol-5-yl)methanimidamide?
The IUPAC name of N'-[4-(dimethylamino)-2-formylthieno[2,3-b]pyridin-3-yl]-N-(2-methyl-3H-benzimidazol-5-yl)methanimidamide (CID 143487458) is N'-[4-(dimethylamino)-2-formylthieno[2,3-b]pyridin-3-yl]-N-(2-methyl-3H-benzimidazol-5-yl)methanimidamide.
What is the SMILES notation for N'-[4-(dimethylamino)-2-formylthieno[2,3-b]pyridin-3-yl]-N-(2-methyl-3H-benzimidazol-5-yl)methanimidamide?
The canonical SMILES for N'-[4-(dimethylamino)-2-formylthieno[2,3-b]pyridin-3-yl]-N-(2-methyl-3H-benzimidazol-5-yl)methanimidamide is Cc1nc2ccc(N/C=N/c3c(C=O)sc4nccc(N(C)C)c34)cc2[nH]1.
What is the InChIKey of N'-[4-(dimethylamino)-2-formylthieno[2,3-b]pyridin-3-yl]-N-(2-methyl-3H-benzimidazol-5-yl)methanimidamide?
The InChIKey is WMHLAHZFVASBJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18N6OS/c1-11-23-13-5-4-12(8-14(13)24-11)21-10-22-18-16(9-26)27-19-17(18)15(25(2)3)6-7-20-19/h4-10H,1-3H3,(H,21,22)(H,23,24).
What are the key properties of N'-[4-(dimethylamino)-2-formylthieno[2,3-b]pyridin-3-yl]-N-(2-methyl-3H-benzimidazol-5-yl)methanimidamide?
N'-[4-(dimethylamino)-2-formylthieno[2,3-b]pyridin-3-yl]-N-(2-methyl-3H-benzimidazol-5-yl)methanimidamide has a molecular weight of 378.46 g/mol, XLogP of 4.13, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[4-(dimethylamino)-2-formylthieno[2,3-b]pyridin-3-yl]-N-(2-methyl-3H-benzimidazol-5-yl)methanimidamide is sourced from PubChem (CID 143487458), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).