N-(2-methylsulfanylpyrimidin-4-yl)-7-phenyl-3-(2-phenylethyl)benzimidazol-5-amine

C26H23N5S — CID 68872898

IUPACN-(2-methylsulfanylpyrimidin-4-yl)-7-phenyl-3-(2-phenylethyl)benzimidazol-5-amine
SMILESCSc1nccc(Nc2cc(-c3ccccc3)c3ncn(CCc4ccccc4)c3c2)n1
InChIInChI=1S/C26H23N5S/c1-32-26-27-14-12-24(30-26)29-21-16-22(20-10-6-3-7-11-20)25-23(17-21)31(18-28-25)15-13-19-8-4-2-5-9-19/h2-12,14,16-18H,13,15H2,1H3,(H,27,29,30)
InChIKeyOGRXLBGERGMMON-UHFFFAOYSA-N
MW437.57 g/mol
LogP6.20
Rot. Bonds7

About N-(2-methylsulfanylpyrimidin-4-yl)-7-phenyl-3-(2-phenylethyl)benzimidazol-5-amine

N-(2-methylsulfanylpyrimidin-4-yl)-7-phenyl-3-(2-phenylethyl)benzimidazol-5-amine (PubChem CID 68872898) has the molecular formula C26H23N5S and a molecular weight of 437.57 g/mol. Its IUPAC name is N-(2-methylsulfanylpyrimidin-4-yl)-7-phenyl-3-(2-phenylethyl)benzimidazol-5-amine.

Molecular Properties

Compound NameN-(2-methylsulfanylpyrimidin-4-yl)-7-phenyl-3-(2-phenylethyl)benzimidazol-5-amine
PubChem CID68872898
Molecular FormulaC26H23N5S
Molecular Weight437.57 g/mol
Exact Mass437.17
IUPAC NameN-(2-methylsulfanylpyrimidin-4-yl)-7-phenyl-3-(2-phenylethyl)benzimidazol-5-amine
SMILESCSc1nccc(Nc2cc(-c3ccccc3)c3ncn(CCc4ccccc4)c3c2)n1
InChIInChI=1S/C26H23N5S/c1-32-26-27-14-12-24(30-26)29-21-16-22(20-10-6-3-7-11-20)25-23(17-21)31(18-28-25)15-13-19-8-4-2-5-9-19/h2-12,14,16-18H,13,15H2,1H3,(H,27,29,30)
InChIKeyOGRXLBGERGMMON-UHFFFAOYSA-N
XLogP6.20
TPSA55.63 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500437.57
LogP ≤ 56.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-methylsulfanyl-N-[(5-phenyl-6-phenylmethoxy-3-pyridinyl)methyl]pyrimidin-4-amine
CID 91435512
1-(2-phenylethyl)benzimidazole;hydrochloride
CID 54604941
N-ethyl-2-methylsulfanylpyrimidin-4-amine
CID 67325580
3-[2-(4-methylphenyl)ethyl]-7-naphthalen-2-ylimidazo[4,5-b]pyridine
CID 25211397
N-[5-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]pyrimidin-2-yl]-3-methyl-7-phenylbenzimidazol-5-amine
CID 156539218
ethane;2-methyl-N-phenylpyrimidin-4-amine
CID 90727503
2-butyl-7-(2-phenylethyl)purine
CID 22115385
2-N-benzyl-4-N-(3,5-dichlorophenyl)-2-N-methylpyrimidine-2,4-diamine
CID 112891064
3-(2-phenylethyl)benzimidazolo[2,1-f]purine
CID 134852122
N-(methoxymethyl)-2-methylsulfanylpyrimidin-4-amine
CID 123197528
3-(2-phenylethyl)benzimidazole-5-carboxylic acid
CID 82791472
6-chloro-2-methylsulfanyl-N-(2-phenylethyl)pyrimidin-4-amine
CID 71671580

Frequently Asked Questions

What is the IUPAC name of N-(2-methylsulfanylpyrimidin-4-yl)-7-phenyl-3-(2-phenylethyl)benzimidazol-5-amine?
The IUPAC name of N-(2-methylsulfanylpyrimidin-4-yl)-7-phenyl-3-(2-phenylethyl)benzimidazol-5-amine (CID 68872898) is N-(2-methylsulfanylpyrimidin-4-yl)-7-phenyl-3-(2-phenylethyl)benzimidazol-5-amine.
What is the SMILES notation for N-(2-methylsulfanylpyrimidin-4-yl)-7-phenyl-3-(2-phenylethyl)benzimidazol-5-amine?
The canonical SMILES for N-(2-methylsulfanylpyrimidin-4-yl)-7-phenyl-3-(2-phenylethyl)benzimidazol-5-amine is CSc1nccc(Nc2cc(-c3ccccc3)c3ncn(CCc4ccccc4)c3c2)n1.
What is the InChIKey of N-(2-methylsulfanylpyrimidin-4-yl)-7-phenyl-3-(2-phenylethyl)benzimidazol-5-amine?
The InChIKey is OGRXLBGERGMMON-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H23N5S/c1-32-26-27-14-12-24(30-26)29-21-16-22(20-10-6-3-7-11-20)25-23(17-21)31(18-28-25)15-13-19-8-4-2-5-9-19/h2-12,14,16-18H,13,15H2,1H3,(H,27,29,30).
What are the key properties of N-(2-methylsulfanylpyrimidin-4-yl)-7-phenyl-3-(2-phenylethyl)benzimidazol-5-amine?
N-(2-methylsulfanylpyrimidin-4-yl)-7-phenyl-3-(2-phenylethyl)benzimidazol-5-amine has a molecular weight of 437.57 g/mol, XLogP of 6.20, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methylsulfanylpyrimidin-4-yl)-7-phenyl-3-(2-phenylethyl)benzimidazol-5-amine is sourced from PubChem (CID 68872898), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).