2-[(6-methoxy-1H-benzimidazol-2-yl)sulfanyl]benzenecarboximidamide

C15H14N4OS — CID 28602002

IUPAC2-[(6-methoxy-1H-benzimidazol-2-yl)sulfanyl]benzenecarboximidamide
SMILES[H]/N=C(\N)c1ccccc1Sc1nc2ccc(OC)cc2[nH]1
InChIInChI=1S/C15H14N4OS/c1-20-9-6-7-11-12(8-9)19-15(18-11)21-13-5-3-2-4-10(13)14(16)17/h2-8H,1H3,(H3,16,17)(H,18,19)
InChIKeyDJVSCOQXEOORKC-UHFFFAOYSA-N
MW298.37 g/mol
LogP3.01
Rot. Bonds4

About 2-[(6-methoxy-1H-benzimidazol-2-yl)sulfanyl]benzenecarboximidamide

2-[(6-methoxy-1H-benzimidazol-2-yl)sulfanyl]benzenecarboximidamide (PubChem CID 28602002) has the molecular formula C15H14N4OS and a molecular weight of 298.37 g/mol. Its IUPAC name is 2-[(6-methoxy-1H-benzimidazol-2-yl)sulfanyl]benzenecarboximidamide.

Molecular Properties

Compound Name2-[(6-methoxy-1H-benzimidazol-2-yl)sulfanyl]benzenecarboximidamide
PubChem CID28602002
Molecular FormulaC15H14N4OS
Molecular Weight298.37 g/mol
Exact Mass298.09
IUPAC Name2-[(6-methoxy-1H-benzimidazol-2-yl)sulfanyl]benzenecarboximidamide
SMILES[H]/N=C(\N)c1ccccc1Sc1nc2ccc(OC)cc2[nH]1
InChIInChI=1S/C15H14N4OS/c1-20-9-6-7-11-12(8-9)19-15(18-11)21-13-5-3-2-4-10(13)14(16)17/h2-8H,1H3,(H3,16,17)(H,18,19)
InChIKeyDJVSCOQXEOORKC-UHFFFAOYSA-N
XLogP3.01
TPSA87.78 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.37
LogP ≤ 53.01
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

[2-[(6-methoxy-1H-benzimidazol-2-yl)sulfanyl]phenyl]methanol
CID 63813247
2-(1H-benzimidazol-2-ylsulfanyl)-4-methylbenzenecarboximidamide
CID 62308177
N'-hydroxy-2-[(6-methyl-1H-benzimidazol-2-yl)sulfanyl]benzenecarboximidamide
CID 76975219
4-methoxy-2-(4-methoxyphenyl)sulfanylbenzenecarboximidamide
CID 81302483
N'-hydroxy-2-[(6-methoxy-1H-benzimidazol-2-yl)sulfanyl]propanimidamide
CID 76915209
(1R)-1-[4-[(6-methoxy-1H-benzimidazol-2-yl)sulfanyl]phenyl]ethanol
CID 63812775
3-amino-4-[(6-methoxy-1H-benzimidazol-2-yl)sulfanyl]benzonitrile
CID 43518360
2-[(6-methyl-1H-benzimidazol-2-yl)sulfanylmethyl]benzenecarboximidamide
CID 62873912
6-methoxy-2-(1-phenylethylsulfanyl)-1H-benzimidazole
CID 112775399
[3-chloro-4-[(6-methoxy-1H-benzimidazol-2-yl)sulfanyl]phenyl]methanamine
CID 63087024
5-amino-2-[(6-methoxy-1H-benzimidazol-2-yl)sulfanyl]benzonitrile
CID 61295612
3-[(6-ethoxy-1H-benzimidazol-2-yl)sulfanyl]-2-methylpropanimidamide
CID 43369001

Frequently Asked Questions

What is the IUPAC name of 2-[(6-methoxy-1H-benzimidazol-2-yl)sulfanyl]benzenecarboximidamide?
The IUPAC name of 2-[(6-methoxy-1H-benzimidazol-2-yl)sulfanyl]benzenecarboximidamide (CID 28602002) is 2-[(6-methoxy-1H-benzimidazol-2-yl)sulfanyl]benzenecarboximidamide.
What is the SMILES notation for 2-[(6-methoxy-1H-benzimidazol-2-yl)sulfanyl]benzenecarboximidamide?
The canonical SMILES for 2-[(6-methoxy-1H-benzimidazol-2-yl)sulfanyl]benzenecarboximidamide is [H]/N=C(\N)c1ccccc1Sc1nc2ccc(OC)cc2[nH]1.
What is the InChIKey of 2-[(6-methoxy-1H-benzimidazol-2-yl)sulfanyl]benzenecarboximidamide?
The InChIKey is DJVSCOQXEOORKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14N4OS/c1-20-9-6-7-11-12(8-9)19-15(18-11)21-13-5-3-2-4-10(13)14(16)17/h2-8H,1H3,(H3,16,17)(H,18,19).
What are the key properties of 2-[(6-methoxy-1H-benzimidazol-2-yl)sulfanyl]benzenecarboximidamide?
2-[(6-methoxy-1H-benzimidazol-2-yl)sulfanyl]benzenecarboximidamide has a molecular weight of 298.37 g/mol, XLogP of 3.01, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(6-methoxy-1H-benzimidazol-2-yl)sulfanyl]benzenecarboximidamide is sourced from PubChem (CID 28602002), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).