N-[3-[5-(hydroxymethyl)benzimidazol-1-yl]phenyl]prop-2-enamide

C17H15N3O2 — CID 141389788

IUPACN-[3-[5-(hydroxymethyl)benzimidazol-1-yl]phenyl]prop-2-enamide
SMILESC=CC(=O)Nc1cccc(-n2cnc3cc(CO)ccc32)c1
InChIInChI=1S/C17H15N3O2/c1-2-17(22)19-13-4-3-5-14(9-13)20-11-18-15-8-12(10-21)6-7-16(15)20/h2-9,11,21H,1,10H2,(H,19,22)
InChIKeyGHPWGSRUPKMVNB-UHFFFAOYSA-N
MW293.33 g/mol
LogP2.64
Rot. Bonds4

About N-[3-[5-(hydroxymethyl)benzimidazol-1-yl]phenyl]prop-2-enamide

N-[3-[5-(hydroxymethyl)benzimidazol-1-yl]phenyl]prop-2-enamide (PubChem CID 141389788) has the molecular formula C17H15N3O2 and a molecular weight of 293.33 g/mol. Its IUPAC name is N-[3-[5-(hydroxymethyl)benzimidazol-1-yl]phenyl]prop-2-enamide.

Molecular Properties

Compound NameN-[3-[5-(hydroxymethyl)benzimidazol-1-yl]phenyl]prop-2-enamide
PubChem CID141389788
Molecular FormulaC17H15N3O2
Molecular Weight293.33 g/mol
Exact Mass293.12
IUPAC NameN-[3-[5-(hydroxymethyl)benzimidazol-1-yl]phenyl]prop-2-enamide
SMILESC=CC(=O)Nc1cccc(-n2cnc3cc(CO)ccc32)c1
InChIInChI=1S/C17H15N3O2/c1-2-17(22)19-13-4-3-5-14(9-13)20-11-18-15-8-12(10-21)6-7-16(15)20/h2-9,11,21H,1,10H2,(H,19,22)
InChIKeyGHPWGSRUPKMVNB-UHFFFAOYSA-N
XLogP2.64
TPSA67.15 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.33
LogP ≤ 52.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

[1-(3-bromophenyl)benzimidazol-5-yl]methanol
CID 54564593
N-[3-(3-methoxyphenyl)benzimidazol-5-yl]prop-2-enamide
CID 11437815
N-[3-(5-bromobenzimidazol-1-yl)phenyl]-4,4,4-trifluorobutanamide
CID 147075477
[3-amino-4-[3-(1,3-thiazol-2-yl)anilino]phenyl]methanol;[1-[3-(1,3-thiazol-2-yl)phenyl]benzimidazol-5-yl]methanol
CID 159602805
N-[1-[6-(tert-butylamino)pyrimidin-4-yl]benzimidazol-5-yl]prop-2-enamide
CID 11348280
1-[3-[5-(4-fluorophenyl)benzimidazol-1-yl]phenyl]-3-(2,2,2-trifluoroethyl)urea;hydrochloride
CID 68595951
5-(difluoromethyl)-N-[5-[[[(2R)-1-hydroxy-3,3-dimethylbutan-2-yl]amino]methyl]-1-[3-(prop-2-enoylamino)phenyl]benzimidazol-2-yl]thiophene-2-carboxamide
CID 126737610
5-(aminomethyl)-N-(1-phenylbenzimidazol-5-yl)pyridine-3-carboxamide
CID 167894502
2-cyano-N-[1-(3-methylphenyl)benzimidazol-5-yl]acetamide
CID 168521648
N-[3-[5-(trifluoromethyl)benzimidazol-1-yl]phenyl]formamide
CID 54189949
N-[5-[(cyclohexylamino)methyl]-1-[3-(prop-2-enoylamino)phenyl]benzimidazol-2-yl]-1,2-thiazole-5-carboxamide
CID 126737302
3-(hydroxymethyl)-5-oxo-5-[(1-phenylbenzimidazol-5-yl)amino]pentanoic acid
CID 166434630

Frequently Asked Questions

What is the IUPAC name of N-[3-[5-(hydroxymethyl)benzimidazol-1-yl]phenyl]prop-2-enamide?
The IUPAC name of N-[3-[5-(hydroxymethyl)benzimidazol-1-yl]phenyl]prop-2-enamide (CID 141389788) is N-[3-[5-(hydroxymethyl)benzimidazol-1-yl]phenyl]prop-2-enamide.
What is the SMILES notation for N-[3-[5-(hydroxymethyl)benzimidazol-1-yl]phenyl]prop-2-enamide?
The canonical SMILES for N-[3-[5-(hydroxymethyl)benzimidazol-1-yl]phenyl]prop-2-enamide is C=CC(=O)Nc1cccc(-n2cnc3cc(CO)ccc32)c1.
What is the InChIKey of N-[3-[5-(hydroxymethyl)benzimidazol-1-yl]phenyl]prop-2-enamide?
The InChIKey is GHPWGSRUPKMVNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15N3O2/c1-2-17(22)19-13-4-3-5-14(9-13)20-11-18-15-8-12(10-21)6-7-16(15)20/h2-9,11,21H,1,10H2,(H,19,22).
What are the key properties of N-[3-[5-(hydroxymethyl)benzimidazol-1-yl]phenyl]prop-2-enamide?
N-[3-[5-(hydroxymethyl)benzimidazol-1-yl]phenyl]prop-2-enamide has a molecular weight of 293.33 g/mol, XLogP of 2.64, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[5-(hydroxymethyl)benzimidazol-1-yl]phenyl]prop-2-enamide is sourced from PubChem (CID 141389788), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).