[3-[1-(1H-benzimidazol-2-yl)prop-1-en-2-yl]phenyl]methanol

C17H16N2O — CID 67869385

IUPAC[3-[1-(1H-benzimidazol-2-yl)prop-1-en-2-yl]phenyl]methanol
SMILESCC(=Cc1nc2ccccc2[nH]1)c1cccc(CO)c1
InChIInChI=1S/C17H16N2O/c1-12(14-6-4-5-13(10-14)11-20)9-17-18-15-7-2-3-8-16(15)19-17/h2-10,20H,11H2,1H3,(H,18,19)
InChIKeyATSJLAJYCPZHKN-UHFFFAOYSA-N
MW264.33 g/mol
LogP3.62
Rot. Bonds3

About [3-[1-(1H-benzimidazol-2-yl)prop-1-en-2-yl]phenyl]methanol

[3-[1-(1H-benzimidazol-2-yl)prop-1-en-2-yl]phenyl]methanol (PubChem CID 67869385) has the molecular formula C17H16N2O and a molecular weight of 264.33 g/mol. Its IUPAC name is [3-[1-(1H-benzimidazol-2-yl)prop-1-en-2-yl]phenyl]methanol.

Molecular Properties

Compound Name[3-[1-(1H-benzimidazol-2-yl)prop-1-en-2-yl]phenyl]methanol
PubChem CID67869385
Molecular FormulaC17H16N2O
Molecular Weight264.33 g/mol
Exact Mass264.13
IUPAC Name[3-[1-(1H-benzimidazol-2-yl)prop-1-en-2-yl]phenyl]methanol
SMILESCC(=Cc1nc2ccccc2[nH]1)c1cccc(CO)c1
InChIInChI=1S/C17H16N2O/c1-12(14-6-4-5-13(10-14)11-20)9-17-18-15-7-2-3-8-16(15)19-17/h2-10,20H,11H2,1H3,(H,18,19)
InChIKeyATSJLAJYCPZHKN-UHFFFAOYSA-N
XLogP3.62
TPSA48.91 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.33
LogP ≤ 53.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1H-benzimidazole-2-carbaldehyde;ethane;molecular hydrogen
CID 143522303
2-[(Z)-prop-1-enyl]-1H-benzimidazole
CID 6166899
2-[2-(1H-benzimidazol-2-yl)ethenyl]phenol
CID 137201342
6-bromo-2-[(Z)-2-chloroprop-1-enyl]-1H-benzimidazole
CID 59008040
N-[2-(1H-benzimidazol-2-yl)ethyl]-2-[3-(hydroxymethyl)phenoxy]propanamide
CID 71910177
2-[(E)-2-(2,4-difluorophenyl)ethenyl]-1H-benzimidazole
CID 132567925
6-bromo-2-[(Z)-2-chloroprop-1-enyl]-1H-benzimidazole;ethane
CID 91546288
[(E)-2-(1H-benzimidazol-2-yl)ethenyl]phosphane
CID 20732162
(Z)-2-(1H-benzimidazol-2-yl)-1-thiophen-2-ylethenol
CID 135546030
6-bromo-2-[(Z)-2-chloro-2-phenylethenyl]-1H-benzimidazole
CID 87293067
[4-(1H-benzimidazol-2-ylsulfanylmethyl)phenyl]methanol
CID 112630397
3-(1H-benzimidazol-2-ylmethyl)aniline
CID 65346591

Frequently Asked Questions

What is the IUPAC name of [3-[1-(1H-benzimidazol-2-yl)prop-1-en-2-yl]phenyl]methanol?
The IUPAC name of [3-[1-(1H-benzimidazol-2-yl)prop-1-en-2-yl]phenyl]methanol (CID 67869385) is [3-[1-(1H-benzimidazol-2-yl)prop-1-en-2-yl]phenyl]methanol.
What is the SMILES notation for [3-[1-(1H-benzimidazol-2-yl)prop-1-en-2-yl]phenyl]methanol?
The canonical SMILES for [3-[1-(1H-benzimidazol-2-yl)prop-1-en-2-yl]phenyl]methanol is CC(=Cc1nc2ccccc2[nH]1)c1cccc(CO)c1.
What is the InChIKey of [3-[1-(1H-benzimidazol-2-yl)prop-1-en-2-yl]phenyl]methanol?
The InChIKey is ATSJLAJYCPZHKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16N2O/c1-12(14-6-4-5-13(10-14)11-20)9-17-18-15-7-2-3-8-16(15)19-17/h2-10,20H,11H2,1H3,(H,18,19).
What are the key properties of [3-[1-(1H-benzimidazol-2-yl)prop-1-en-2-yl]phenyl]methanol?
[3-[1-(1H-benzimidazol-2-yl)prop-1-en-2-yl]phenyl]methanol has a molecular weight of 264.33 g/mol, XLogP of 3.62, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [3-[1-(1H-benzimidazol-2-yl)prop-1-en-2-yl]phenyl]methanol is sourced from PubChem (CID 67869385), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).