2-[(6-fluoro-1H-benzimidazol-2-yl)amino]-3-phenylpropan-1-ol

C16H16FN3O — CID 103294929

IUPAC2-[(6-fluoro-1H-benzimidazol-2-yl)amino]-3-phenylpropan-1-ol
SMILESOCC(Cc1ccccc1)Nc1nc2ccc(F)cc2[nH]1
InChIInChI=1S/C16H16FN3O/c17-12-6-7-14-15(9-12)20-16(19-14)18-13(10-21)8-11-4-2-1-3-5-11/h1-7,9,13,21H,8,10H2,(H2,18,19,20)
InChIKeyPZDRBVFDQFUTFB-UHFFFAOYSA-N
MW285.32 g/mol
LogP2.72
Rot. Bonds5

About 2-[(6-fluoro-1H-benzimidazol-2-yl)amino]-3-phenylpropan-1-ol

2-[(6-fluoro-1H-benzimidazol-2-yl)amino]-3-phenylpropan-1-ol (PubChem CID 103294929) has the molecular formula C16H16FN3O and a molecular weight of 285.32 g/mol. Its IUPAC name is 2-[(6-fluoro-1H-benzimidazol-2-yl)amino]-3-phenylpropan-1-ol.

Molecular Properties

Compound Name2-[(6-fluoro-1H-benzimidazol-2-yl)amino]-3-phenylpropan-1-ol
PubChem CID103294929
Molecular FormulaC16H16FN3O
Molecular Weight285.32 g/mol
Exact Mass285.13
IUPAC Name2-[(6-fluoro-1H-benzimidazol-2-yl)amino]-3-phenylpropan-1-ol
SMILESOCC(Cc1ccccc1)Nc1nc2ccc(F)cc2[nH]1
InChIInChI=1S/C16H16FN3O/c17-12-6-7-14-15(9-12)20-16(19-14)18-13(10-21)8-11-4-2-1-3-5-11/h1-7,9,13,21H,8,10H2,(H2,18,19,20)
InChIKeyPZDRBVFDQFUTFB-UHFFFAOYSA-N
XLogP2.72
TPSA60.94 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.32
LogP ≤ 52.72
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

N-(1-chloro-3-phenylpropan-2-yl)-1H-benzimidazol-2-amine
CID 65028861
6-fluoro-N-octan-4-yl-1H-benzimidazol-2-amine
CID 106026592
6-fluoro-N-(5-methylhexan-2-yl)-1H-benzimidazol-2-amine
CID 103294950
(2S)-2-[[1-[(4-fluorophenyl)methyl]benzimidazol-2-yl]amino]-3-phenylpropan-1-ol
CID 101037900
1-[2-(difluoromethyl)-3H-benzimidazol-5-yl]-3-(1-hydroxy-3-phenylpropan-2-yl)urea
CID 71906546
3-N-(6-fluoro-1H-benzimidazol-2-yl)-1-N,1-N-dimethylbutane-1,3-diamine
CID 103294842
6-fluoro-N-(1-pyridin-4-ylethyl)-1H-benzimidazol-2-amine
CID 103294716
2-(5-fluoro-2-nitroanilino)-3-phenylpropan-1-ol
CID 63260608
(2R)-2-[(2,5-difluorophenyl)methylamino]-3-phenylpropan-1-ol
CID 104922865
6-fluoro-N-(1-pyridin-3-ylethyl)-1H-benzimidazol-2-amine
CID 103294715
6-fluoro-N-(2-pyridin-3-ylethyl)-1H-benzimidazol-2-amine
CID 103294739
3-[[(2R)-1-hydroxy-3-phenylpropan-2-yl]amino]-6-methyl-4H-1,2,4-triazin-5-one
CID 136683245

Frequently Asked Questions

What is the IUPAC name of 2-[(6-fluoro-1H-benzimidazol-2-yl)amino]-3-phenylpropan-1-ol?
The IUPAC name of 2-[(6-fluoro-1H-benzimidazol-2-yl)amino]-3-phenylpropan-1-ol (CID 103294929) is 2-[(6-fluoro-1H-benzimidazol-2-yl)amino]-3-phenylpropan-1-ol.
What is the SMILES notation for 2-[(6-fluoro-1H-benzimidazol-2-yl)amino]-3-phenylpropan-1-ol?
The canonical SMILES for 2-[(6-fluoro-1H-benzimidazol-2-yl)amino]-3-phenylpropan-1-ol is OCC(Cc1ccccc1)Nc1nc2ccc(F)cc2[nH]1.
What is the InChIKey of 2-[(6-fluoro-1H-benzimidazol-2-yl)amino]-3-phenylpropan-1-ol?
The InChIKey is PZDRBVFDQFUTFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16FN3O/c17-12-6-7-14-15(9-12)20-16(19-14)18-13(10-21)8-11-4-2-1-3-5-11/h1-7,9,13,21H,8,10H2,(H2,18,19,20).
What are the key properties of 2-[(6-fluoro-1H-benzimidazol-2-yl)amino]-3-phenylpropan-1-ol?
2-[(6-fluoro-1H-benzimidazol-2-yl)amino]-3-phenylpropan-1-ol has a molecular weight of 285.32 g/mol, XLogP of 2.72, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(6-fluoro-1H-benzimidazol-2-yl)amino]-3-phenylpropan-1-ol is sourced from PubChem (CID 103294929), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).