[3-chloro-4-[(6-methoxy-1H-benzimidazol-2-yl)sulfanyl]phenyl]methanamine

C15H14ClN3OS — CID 63087024

IUPAC[3-chloro-4-[(6-methoxy-1H-benzimidazol-2-yl)sulfanyl]phenyl]methanamine
SMILESCOc1ccc2nc(Sc3ccc(CN)cc3Cl)[nH]c2c1
InChIInChI=1S/C15H14ClN3OS/c1-20-10-3-4-12-13(7-10)19-15(18-12)21-14-5-2-9(8-17)6-11(14)16/h2-7H,8,17H2,1H3,(H,18,19)
InChIKeyZTGVYFFVHFWAIT-UHFFFAOYSA-N
MW319.82 g/mol
LogP3.83
Rot. Bonds4

About [3-chloro-4-[(6-methoxy-1H-benzimidazol-2-yl)sulfanyl]phenyl]methanamine

[3-chloro-4-[(6-methoxy-1H-benzimidazol-2-yl)sulfanyl]phenyl]methanamine (PubChem CID 63087024) has the molecular formula C15H14ClN3OS and a molecular weight of 319.82 g/mol. Its IUPAC name is [3-chloro-4-[(6-methoxy-1H-benzimidazol-2-yl)sulfanyl]phenyl]methanamine.

Molecular Properties

Compound Name[3-chloro-4-[(6-methoxy-1H-benzimidazol-2-yl)sulfanyl]phenyl]methanamine
PubChem CID63087024
Molecular FormulaC15H14ClN3OS
Molecular Weight319.82 g/mol
Exact Mass319.05
IUPAC Name[3-chloro-4-[(6-methoxy-1H-benzimidazol-2-yl)sulfanyl]phenyl]methanamine
SMILESCOc1ccc2nc(Sc3ccc(CN)cc3Cl)[nH]c2c1
InChIInChI=1S/C15H14ClN3OS/c1-20-10-3-4-12-13(7-10)19-15(18-12)21-14-5-2-9(8-17)6-11(14)16/h2-7H,8,17H2,1H3,(H,18,19)
InChIKeyZTGVYFFVHFWAIT-UHFFFAOYSA-N
XLogP3.83
TPSA63.93 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.82
LogP ≤ 53.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze [3-chloro-4-[(6-methoxy-1H-benzimidazol-2-yl)sulfanyl]phenyl]methanamine with MolForge

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Related Compounds

2-[6-[(6-methoxy-1H-benzimidazol-2-yl)sulfanyl]-3-pyridinyl]ethanamine
CID 80640192
3-amino-4-[(6-methoxy-1H-benzimidazol-2-yl)sulfanyl]benzonitrile
CID 43518360
[2-[(6-methoxy-1H-benzimidazol-2-yl)sulfanyl]phenyl]methanol
CID 63813247
4-chloro-6-[(6-methoxy-1H-benzimidazol-2-yl)sulfanyl]pyrimidin-2-amine
CID 80735327
5-amino-2-[(6-methoxy-1H-benzimidazol-2-yl)sulfanyl]benzonitrile
CID 61295612
2-(6-chloro-2-methylpyrimidin-4-yl)sulfanyl-6-methoxy-1H-benzimidazole
CID 62482154
2-[(4-chloro-2-pyridinyl)methylsulfanyl]-6-methoxy-1H-benzimidazole
CID 79245493
[6-[(6-methoxy-1H-benzimidazol-2-yl)sulfanyl]-3-pyridinyl]methanol
CID 80651608
2-[(6-chloro-1H-benzimidazol-2-yl)sulfanyl]-4-methoxy-N,N-dimethylaniline
CID 19866646
5-bromo-2-[(6-methoxy-1H-benzimidazol-2-yl)sulfanyl]benzonitrile
CID 114893409
(1R)-1-(6-methoxy-1H-benzimidazol-2-yl)-2-(4-methoxyphenyl)ethanamine
CID 121471175
2-[(6-chloropyridazin-3-yl)methylsulfanyl]-6-methoxy-1H-benzimidazole
CID 104514315

Frequently Asked Questions

What is the IUPAC name of [3-chloro-4-[(6-methoxy-1H-benzimidazol-2-yl)sulfanyl]phenyl]methanamine?
The IUPAC name of [3-chloro-4-[(6-methoxy-1H-benzimidazol-2-yl)sulfanyl]phenyl]methanamine (CID 63087024) is [3-chloro-4-[(6-methoxy-1H-benzimidazol-2-yl)sulfanyl]phenyl]methanamine.
What is the SMILES notation for [3-chloro-4-[(6-methoxy-1H-benzimidazol-2-yl)sulfanyl]phenyl]methanamine?
The canonical SMILES for [3-chloro-4-[(6-methoxy-1H-benzimidazol-2-yl)sulfanyl]phenyl]methanamine is COc1ccc2nc(Sc3ccc(CN)cc3Cl)[nH]c2c1.
What is the InChIKey of [3-chloro-4-[(6-methoxy-1H-benzimidazol-2-yl)sulfanyl]phenyl]methanamine?
The InChIKey is ZTGVYFFVHFWAIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14ClN3OS/c1-20-10-3-4-12-13(7-10)19-15(18-12)21-14-5-2-9(8-17)6-11(14)16/h2-7H,8,17H2,1H3,(H,18,19).
What are the key properties of [3-chloro-4-[(6-methoxy-1H-benzimidazol-2-yl)sulfanyl]phenyl]methanamine?
[3-chloro-4-[(6-methoxy-1H-benzimidazol-2-yl)sulfanyl]phenyl]methanamine has a molecular weight of 319.82 g/mol, XLogP of 3.83, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [3-chloro-4-[(6-methoxy-1H-benzimidazol-2-yl)sulfanyl]phenyl]methanamine is sourced from PubChem (CID 63087024), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).