1-[2-[(6-methyl-1H-benzimidazol-2-yl)sulfanyl]phenyl]propan-1-ol

C17H18N2OS — CID 115997228

IUPAC1-[2-[(6-methyl-1H-benzimidazol-2-yl)sulfanyl]phenyl]propan-1-ol
SMILESCCC(O)c1ccccc1Sc1nc2ccc(C)cc2[nH]1
InChIInChI=1S/C17H18N2OS/c1-3-15(20)12-6-4-5-7-16(12)21-17-18-13-9-8-11(2)10-14(13)19-17/h4-10,15,20H,3H2,1-2H3,(H,18,19)
InChIKeyFEJRRTAAFQNATF-UHFFFAOYSA-N
MW298.41 g/mol
LogP4.47
Rot. Bonds4

About 1-[2-[(6-methyl-1H-benzimidazol-2-yl)sulfanyl]phenyl]propan-1-ol

1-[2-[(6-methyl-1H-benzimidazol-2-yl)sulfanyl]phenyl]propan-1-ol (PubChem CID 115997228) has the molecular formula C17H18N2OS and a molecular weight of 298.41 g/mol. Its IUPAC name is 1-[2-[(6-methyl-1H-benzimidazol-2-yl)sulfanyl]phenyl]propan-1-ol.

Molecular Properties

Compound Name1-[2-[(6-methyl-1H-benzimidazol-2-yl)sulfanyl]phenyl]propan-1-ol
PubChem CID115997228
Molecular FormulaC17H18N2OS
Molecular Weight298.41 g/mol
Exact Mass298.11
IUPAC Name1-[2-[(6-methyl-1H-benzimidazol-2-yl)sulfanyl]phenyl]propan-1-ol
SMILESCCC(O)c1ccccc1Sc1nc2ccc(C)cc2[nH]1
InChIInChI=1S/C17H18N2OS/c1-3-15(20)12-6-4-5-7-16(12)21-17-18-13-9-8-11(2)10-14(13)19-17/h4-10,15,20H,3H2,1-2H3,(H,18,19)
InChIKeyFEJRRTAAFQNATF-UHFFFAOYSA-N
XLogP4.47
TPSA48.91 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.41
LogP ≤ 54.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N'-hydroxy-2-[(6-methyl-1H-benzimidazol-2-yl)sulfanyl]benzenecarboximidamide
CID 76975219
[2-chloro-6-[(6-methyl-1H-benzimidazol-2-yl)sulfanyl]phenyl]methanol
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5-methyl-2-[(6-methyl-1H-benzimidazol-2-yl)sulfanyl]aniline
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[2-fluoro-6-[(6-methyl-1H-benzimidazol-2-yl)sulfanyl]phenyl]methanamine
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(1R)-1-[4-[(6-methyl-1H-benzimidazol-2-yl)sulfanyl]phenyl]ethanol
CID 78951491
(1R)-1-[3-fluoro-4-[(6-methyl-1H-benzimidazol-2-yl)sulfanyl]phenyl]ethanol
CID 63835956
5-methyl-2-[(6-methyl-1H-benzimidazol-2-yl)sulfanyl]benzonitrile
CID 107930978
2-[(6-methyl-1H-benzimidazol-2-yl)sulfanyl]butanamide
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2-[2-[(1S)-1-hydroxypropyl]phenyl]sulfanyl-1H-pyrimidin-6-one
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2-(2-chlorophenyl)-2-[(6-methyl-1H-benzimidazol-2-yl)sulfanyl]ethanamine
CID 62875765
6-methyl-2-[(6-methyl-1H-benzimidazol-2-yl)disulfanyl]-1H-benzimidazole;molecular hydrogen
CID 144612475

Frequently Asked Questions

What is the IUPAC name of 1-[2-[(6-methyl-1H-benzimidazol-2-yl)sulfanyl]phenyl]propan-1-ol?
The IUPAC name of 1-[2-[(6-methyl-1H-benzimidazol-2-yl)sulfanyl]phenyl]propan-1-ol (CID 115997228) is 1-[2-[(6-methyl-1H-benzimidazol-2-yl)sulfanyl]phenyl]propan-1-ol.
What is the SMILES notation for 1-[2-[(6-methyl-1H-benzimidazol-2-yl)sulfanyl]phenyl]propan-1-ol?
The canonical SMILES for 1-[2-[(6-methyl-1H-benzimidazol-2-yl)sulfanyl]phenyl]propan-1-ol is CCC(O)c1ccccc1Sc1nc2ccc(C)cc2[nH]1.
What is the InChIKey of 1-[2-[(6-methyl-1H-benzimidazol-2-yl)sulfanyl]phenyl]propan-1-ol?
The InChIKey is FEJRRTAAFQNATF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N2OS/c1-3-15(20)12-6-4-5-7-16(12)21-17-18-13-9-8-11(2)10-14(13)19-17/h4-10,15,20H,3H2,1-2H3,(H,18,19).
What are the key properties of 1-[2-[(6-methyl-1H-benzimidazol-2-yl)sulfanyl]phenyl]propan-1-ol?
1-[2-[(6-methyl-1H-benzimidazol-2-yl)sulfanyl]phenyl]propan-1-ol has a molecular weight of 298.41 g/mol, XLogP of 4.47, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[(6-methyl-1H-benzimidazol-2-yl)sulfanyl]phenyl]propan-1-ol is sourced from PubChem (CID 115997228), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).