4-(1-phenylbenzimidazol-2-yl)oxolan-3-amine

C17H17N3O — CID 66239675

IUPAC4-(1-phenylbenzimidazol-2-yl)oxolan-3-amine
SMILESNC1COCC1c1nc2ccccc2n1-c1ccccc1
InChIInChI=1S/C17H17N3O/c18-14-11-21-10-13(14)17-19-15-8-4-5-9-16(15)20(17)12-6-2-1-3-7-12/h1-9,13-14H,10-11,18H2
InChIKeyYXYPHRVEVHFXSC-UHFFFAOYSA-N
MW279.34 g/mol
LogP2.47
Rot. Bonds2

About 4-(1-phenylbenzimidazol-2-yl)oxolan-3-amine

4-(1-phenylbenzimidazol-2-yl)oxolan-3-amine (PubChem CID 66239675) has the molecular formula C17H17N3O and a molecular weight of 279.34 g/mol. Its IUPAC name is 4-(1-phenylbenzimidazol-2-yl)oxolan-3-amine.

Molecular Properties

Compound Name4-(1-phenylbenzimidazol-2-yl)oxolan-3-amine
PubChem CID66239675
Molecular FormulaC17H17N3O
Molecular Weight279.34 g/mol
Exact Mass279.14
IUPAC Name4-(1-phenylbenzimidazol-2-yl)oxolan-3-amine
SMILESNC1COCC1c1nc2ccccc2n1-c1ccccc1
InChIInChI=1S/C17H17N3O/c18-14-11-21-10-13(14)17-19-15-8-4-5-9-16(15)20(17)12-6-2-1-3-7-12/h1-9,13-14H,10-11,18H2
InChIKeyYXYPHRVEVHFXSC-UHFFFAOYSA-N
XLogP2.47
TPSA53.07 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.34
LogP ≤ 52.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[2-(4-aminooxolan-3-yl)benzimidazol-1-yl]ethanol
CID 66240074
1-phenyl-2-(1-phenylbenzimidazol-2-yl)benzimidazole
CID 44622931
4-(6-chloro-1-ethylbenzimidazol-2-yl)oxolan-3-amine
CID 113316577
2-chloro-1-phenylbenzimidazole
CID 12675133
2-bromo-1-phenylbenzimidazole
CID 84810012
1-phenyl-2-[4-(1-phenylbenzimidazol-2-yl)phenyl]benzimidazole
CID 18629889
2-cyclobutyl-1-(4-methylphenyl)benzimidazole
CID 7996379
3-amino-1-phenylquinoxalin-2-one
CID 19045865
1-(1-phenylbenzimidazol-2-yl)cyclopentan-1-amine
CID 61291383
4-(1-tert-butylbenzimidazol-2-yl)-N-ethyloxolan-3-amine
CID 66248043
1-phenylbenzimidazole-2-sulfonic acid
CID 2772410
2,8,14,20,26-pentakis-phenyl-32-(1-phenylbenzimidazol-2-yl)-2,8,14,20,26,32-hexazaheptacyclo[31.3.1.13,7.19,13.115,19.121,25.127,31]dotetraconta-1(37),3,5,7(42),9,11,13(41),15(40),16,18,21(39),22,24,27(38),28,30,33,35-octadecaene
CID 123675811

Frequently Asked Questions

What is the IUPAC name of 4-(1-phenylbenzimidazol-2-yl)oxolan-3-amine?
The IUPAC name of 4-(1-phenylbenzimidazol-2-yl)oxolan-3-amine (CID 66239675) is 4-(1-phenylbenzimidazol-2-yl)oxolan-3-amine.
What is the SMILES notation for 4-(1-phenylbenzimidazol-2-yl)oxolan-3-amine?
The canonical SMILES for 4-(1-phenylbenzimidazol-2-yl)oxolan-3-amine is NC1COCC1c1nc2ccccc2n1-c1ccccc1.
What is the InChIKey of 4-(1-phenylbenzimidazol-2-yl)oxolan-3-amine?
The InChIKey is YXYPHRVEVHFXSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17N3O/c18-14-11-21-10-13(14)17-19-15-8-4-5-9-16(15)20(17)12-6-2-1-3-7-12/h1-9,13-14H,10-11,18H2.
What are the key properties of 4-(1-phenylbenzimidazol-2-yl)oxolan-3-amine?
4-(1-phenylbenzimidazol-2-yl)oxolan-3-amine has a molecular weight of 279.34 g/mol, XLogP of 2.47, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1-phenylbenzimidazol-2-yl)oxolan-3-amine is sourced from PubChem (CID 66239675), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).