6-[(1S)-1-(6-fluoro-1-phenylbenzimidazol-2-yl)ethyl]-1,3,5-triazine-2,4-diamine

C18H16FN7 — CID 140590519

IUPAC6-[(1S)-1-(6-fluoro-1-phenylbenzimidazol-2-yl)ethyl]-1,3,5-triazine-2,4-diamine
SMILESC[C@H](c1nc(N)nc(N)n1)c1nc2ccc(F)cc2n1-c1ccccc1
InChIInChI=1S/C18H16FN7/c1-10(15-23-17(20)25-18(21)24-15)16-22-13-8-7-11(19)9-14(13)26(16)12-5-3-2-4-6-12/h2-10H,1H3,(H4,20,21,23,24,25)/t10-/m1/s1
InChIKeyUOPAPARVZBWYBV-SNVBAGLBSA-N
MW349.37 g/mol
LogP2.67
Rot. Bonds3

About 6-[(1S)-1-(6-fluoro-1-phenylbenzimidazol-2-yl)ethyl]-1,3,5-triazine-2,4-diamine

6-[(1S)-1-(6-fluoro-1-phenylbenzimidazol-2-yl)ethyl]-1,3,5-triazine-2,4-diamine (PubChem CID 140590519) has the molecular formula C18H16FN7 and a molecular weight of 349.37 g/mol. Its IUPAC name is 6-[(1S)-1-(6-fluoro-1-phenylbenzimidazol-2-yl)ethyl]-1,3,5-triazine-2,4-diamine.

Molecular Properties

Compound Name6-[(1S)-1-(6-fluoro-1-phenylbenzimidazol-2-yl)ethyl]-1,3,5-triazine-2,4-diamine
PubChem CID140590519
Molecular FormulaC18H16FN7
Molecular Weight349.37 g/mol
Exact Mass349.15
IUPAC Name6-[(1S)-1-(6-fluoro-1-phenylbenzimidazol-2-yl)ethyl]-1,3,5-triazine-2,4-diamine
SMILESC[C@H](c1nc(N)nc(N)n1)c1nc2ccc(F)cc2n1-c1ccccc1
InChIInChI=1S/C18H16FN7/c1-10(15-23-17(20)25-18(21)24-15)16-22-13-8-7-11(19)9-14(13)26(16)12-5-3-2-4-6-12/h2-10H,1H3,(H4,20,21,23,24,25)/t10-/m1/s1
InChIKeyUOPAPARVZBWYBV-SNVBAGLBSA-N
XLogP2.67
TPSA108.53 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.37
LogP ≤ 52.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

6-fluoro-2-methyl-1-phenylbenzimidazole
CID 25216870
2-chloro-4-N-[(1S)-1-(6-fluoro-1-phenylbenzimidazol-2-yl)ethyl]pyrimidine-4,5-diamine
CID 88948354
1-(6-fluoro-1-phenylbenzimidazol-2-yl)-2-phenylmethoxyethanamine
CID 77456172
1-[6-fluoro-1-(3-methoxyphenyl)benzimidazol-2-yl]ethanamine
CID 77456368
2-(6-fluoro-1-phenylbenzimidazol-2-yl)ethanamine
CID 83421083
tert-butyl N-[1-(6-fluoro-1-phenylbenzimidazol-2-yl)-2-phenylmethoxypropyl]carbamate
CID 77456112
6-fluoro-2-(2-methoxyethyl)-1-phenylbenzimidazole
CID 123994693
1-phenyl-2-propan-2-ylbenzimidazole
CID 21050246
1-(6-fluoro-1-propan-2-ylbenzimidazol-2-yl)ethanamine
CID 62377080
N-[1-(6-fluoro-1-pyridin-3-ylbenzimidazol-2-yl)ethyl]acetamide
CID 58459352
2-methyl-3-phenylbenzimidazol-5-amine
CID 9115278
6-fluoro-1-(3-fluoro-5-methylphenyl)benzimidazol-2-amine
CID 79049822

Frequently Asked Questions

What is the IUPAC name of 6-[(1S)-1-(6-fluoro-1-phenylbenzimidazol-2-yl)ethyl]-1,3,5-triazine-2,4-diamine?
The IUPAC name of 6-[(1S)-1-(6-fluoro-1-phenylbenzimidazol-2-yl)ethyl]-1,3,5-triazine-2,4-diamine (CID 140590519) is 6-[(1S)-1-(6-fluoro-1-phenylbenzimidazol-2-yl)ethyl]-1,3,5-triazine-2,4-diamine.
What is the SMILES notation for 6-[(1S)-1-(6-fluoro-1-phenylbenzimidazol-2-yl)ethyl]-1,3,5-triazine-2,4-diamine?
The canonical SMILES for 6-[(1S)-1-(6-fluoro-1-phenylbenzimidazol-2-yl)ethyl]-1,3,5-triazine-2,4-diamine is C[C@H](c1nc(N)nc(N)n1)c1nc2ccc(F)cc2n1-c1ccccc1.
What is the InChIKey of 6-[(1S)-1-(6-fluoro-1-phenylbenzimidazol-2-yl)ethyl]-1,3,5-triazine-2,4-diamine?
The InChIKey is UOPAPARVZBWYBV-SNVBAGLBSA-N. The full InChI is InChI=1S/C18H16FN7/c1-10(15-23-17(20)25-18(21)24-15)16-22-13-8-7-11(19)9-14(13)26(16)12-5-3-2-4-6-12/h2-10H,1H3,(H4,20,21,23,24,25)/t10-/m1/s1.
What are the key properties of 6-[(1S)-1-(6-fluoro-1-phenylbenzimidazol-2-yl)ethyl]-1,3,5-triazine-2,4-diamine?
6-[(1S)-1-(6-fluoro-1-phenylbenzimidazol-2-yl)ethyl]-1,3,5-triazine-2,4-diamine has a molecular weight of 349.37 g/mol, XLogP of 2.67, 3 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(1S)-1-(6-fluoro-1-phenylbenzimidazol-2-yl)ethyl]-1,3,5-triazine-2,4-diamine is sourced from PubChem (CID 140590519), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).