[1-[3-(1,3-thiazol-2-yl)phenyl]benzimidazol-2-yl]methanamine

C17H14N4S — CID 90700681

IUPAC[1-[3-(1,3-thiazol-2-yl)phenyl]benzimidazol-2-yl]methanamine
SMILESNCc1nc2ccccc2n1-c1cccc(-c2nccs2)c1
InChIInChI=1S/C17H14N4S/c18-11-16-20-14-6-1-2-7-15(14)21(16)13-5-3-4-12(10-13)17-19-8-9-22-17/h1-10H,11,18H2
InChIKeyZSJQEOHWLAFPQR-UHFFFAOYSA-N
MW306.39 g/mol
LogP3.61
Rot. Bonds3

About [1-[3-(1,3-thiazol-2-yl)phenyl]benzimidazol-2-yl]methanamine

[1-[3-(1,3-thiazol-2-yl)phenyl]benzimidazol-2-yl]methanamine (PubChem CID 90700681) has the molecular formula C17H14N4S and a molecular weight of 306.39 g/mol. Its IUPAC name is [1-[3-(1,3-thiazol-2-yl)phenyl]benzimidazol-2-yl]methanamine.

Molecular Properties

Compound Name[1-[3-(1,3-thiazol-2-yl)phenyl]benzimidazol-2-yl]methanamine
PubChem CID90700681
Molecular FormulaC17H14N4S
Molecular Weight306.39 g/mol
Exact Mass306.09
IUPAC Name[1-[3-(1,3-thiazol-2-yl)phenyl]benzimidazol-2-yl]methanamine
SMILESNCc1nc2ccccc2n1-c1cccc(-c2nccs2)c1
InChIInChI=1S/C17H14N4S/c18-11-16-20-14-6-1-2-7-15(14)21(16)13-5-3-4-12(10-13)17-19-8-9-22-17/h1-10H,11,18H2
InChIKeyZSJQEOHWLAFPQR-UHFFFAOYSA-N
XLogP3.61
TPSA56.73 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.39
LogP ≤ 53.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-[3-[2-[diphenyl(pyridin-2-yl)methyl]carbazol-9-yl]phenyl]-1,3-thiazole
CID 140716193
2-ethyl-1-[3-(10-naphthalen-2-ylanthracen-9-yl)phenyl]benzimidazole
CID 170235572
2-[3-[9-naphthalen-1-yl-7-[3-(1,3-thiazol-2-yl)phenyl]carbazol-2-yl]phenyl]-3H-thiadiazole
CID 144730192
2-[1-[4-(aminomethyl)-3-methylphenyl]benzimidazol-2-yl]acetonitrile
CID 63640861
2-(1-phenylbenzimidazol-2-yl)acetic acid
CID 61271443
[2-fluoro-3-(1,3-thiazol-2-yl)phenyl]methanamine
CID 83410764
CID 174119147
CID 174119147
2-ethyl-1-[3-[3-[1,2,3,4,5,6,7,8-octadeuterio-10-(3-phenylphenyl)anthracen-9-yl]phenyl]phenyl]benzimidazole
CID 169071753
2-[9-(3-pyridin-2-ylphenyl)-4-(1,3-thiazol-2-yl)carbazol-2-yl]-1,3-benzoxazole
CID 142328645
3-[2-[(4-iodophenoxy)methyl]benzimidazol-1-yl]aniline
CID 172640254
[3-amino-4-[3-(1,3-thiazol-2-yl)anilino]phenyl]methanol;[1-[3-(1,3-thiazol-2-yl)phenyl]benzimidazol-5-yl]methanol
CID 159602805
[2-(1,3-thiazol-2-yl)phenyl]methanamine;hydrochloride
CID 52983593

Frequently Asked Questions

What is the IUPAC name of [1-[3-(1,3-thiazol-2-yl)phenyl]benzimidazol-2-yl]methanamine?
The IUPAC name of [1-[3-(1,3-thiazol-2-yl)phenyl]benzimidazol-2-yl]methanamine (CID 90700681) is [1-[3-(1,3-thiazol-2-yl)phenyl]benzimidazol-2-yl]methanamine.
What is the SMILES notation for [1-[3-(1,3-thiazol-2-yl)phenyl]benzimidazol-2-yl]methanamine?
The canonical SMILES for [1-[3-(1,3-thiazol-2-yl)phenyl]benzimidazol-2-yl]methanamine is NCc1nc2ccccc2n1-c1cccc(-c2nccs2)c1.
What is the InChIKey of [1-[3-(1,3-thiazol-2-yl)phenyl]benzimidazol-2-yl]methanamine?
The InChIKey is ZSJQEOHWLAFPQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14N4S/c18-11-16-20-14-6-1-2-7-15(14)21(16)13-5-3-4-12(10-13)17-19-8-9-22-17/h1-10H,11,18H2.
What are the key properties of [1-[3-(1,3-thiazol-2-yl)phenyl]benzimidazol-2-yl]methanamine?
[1-[3-(1,3-thiazol-2-yl)phenyl]benzimidazol-2-yl]methanamine has a molecular weight of 306.39 g/mol, XLogP of 3.61, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[3-(1,3-thiazol-2-yl)phenyl]benzimidazol-2-yl]methanamine is sourced from PubChem (CID 90700681), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).