N-[2-cyclohexyl-1-(3-hydroxypropyl)benzimidazol-5-yl]-N-hydroxyprop-2-enamide

C19H25N3O3 — CID 87516617

IUPACN-[2-cyclohexyl-1-(3-hydroxypropyl)benzimidazol-5-yl]-N-hydroxyprop-2-enamide
SMILESC=CC(=O)N(O)c1ccc2c(c1)nc(C1CCCCC1)n2CCCO
InChIInChI=1S/C19H25N3O3/c1-2-18(24)22(25)15-9-10-17-16(13-15)20-19(21(17)11-6-12-23)14-7-4-3-5-8-14/h2,9-10,13-14,23,25H,1,3-8,11-12H2
InChIKeyPYMFTGWZTPXDMT-UHFFFAOYSA-N
MW343.43 g/mol
LogP3.37
Rot. Bonds6

About N-[2-cyclohexyl-1-(3-hydroxypropyl)benzimidazol-5-yl]-N-hydroxyprop-2-enamide

N-[2-cyclohexyl-1-(3-hydroxypropyl)benzimidazol-5-yl]-N-hydroxyprop-2-enamide (PubChem CID 87516617) has the molecular formula C19H25N3O3 and a molecular weight of 343.43 g/mol. Its IUPAC name is N-[2-cyclohexyl-1-(3-hydroxypropyl)benzimidazol-5-yl]-N-hydroxyprop-2-enamide.

Molecular Properties

Compound NameN-[2-cyclohexyl-1-(3-hydroxypropyl)benzimidazol-5-yl]-N-hydroxyprop-2-enamide
PubChem CID87516617
Molecular FormulaC19H25N3O3
Molecular Weight343.43 g/mol
Exact Mass343.19
IUPAC NameN-[2-cyclohexyl-1-(3-hydroxypropyl)benzimidazol-5-yl]-N-hydroxyprop-2-enamide
SMILESC=CC(=O)N(O)c1ccc2c(c1)nc(C1CCCCC1)n2CCCO
InChIInChI=1S/C19H25N3O3/c1-2-18(24)22(25)15-9-10-17-16(13-15)20-19(21(17)11-6-12-23)14-7-4-3-5-8-14/h2,9-10,13-14,23,25H,1,3-8,11-12H2
InChIKeyPYMFTGWZTPXDMT-UHFFFAOYSA-N
XLogP3.37
TPSA78.59 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.43
LogP ≤ 53.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydroxamic_acid', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

3-(5-chloro-2-cyclohexylbenzimidazol-1-yl)propan-1-ol
CID 13105617
3-(2-cyclohexyl-5,6-dimethylbenzimidazol-1-yl)propan-1-ol
CID 82149547
3-(2-cyclohexyl-5,6-dimethoxybenzimidazol-1-yl)propan-1-ol
CID 94756206
3-[5-chloro-2-(oxolan-2-yl)benzimidazol-1-yl]propan-1-ol
CID 46308488
2-(2-cyclohexyl-1-propylbenzimidazol-5-yl)acetic acid
CID 82142102
4-(5-amino-2-cyclopropylbenzimidazol-1-yl)butanamide
CID 62508536
2-(6-chloro-2-cyclohexylbenzimidazol-1-yl)ethanol
CID 46308180
2-cyclobutyl-1-propylbenzimidazole-5-carboxylic acid
CID 82483518
3-[2-cyclohexyl-5-(trifluoromethyl)benzimidazol-1-yl]-N,N-diethylpropan-1-amine
CID 46308794
3-(5-amino-2-cyclopropylbenzimidazol-1-yl)propanamide
CID 62507866
4-(6-cyclobutyl-[1,3]dioxolo[4,5-f]benzimidazol-7-yl)butanoic acid
CID 82150052
2-cycloheptyl-1-propylbenzimidazole-5-carbonitrile
CID 65040307

Frequently Asked Questions

What is the IUPAC name of N-[2-cyclohexyl-1-(3-hydroxypropyl)benzimidazol-5-yl]-N-hydroxyprop-2-enamide?
The IUPAC name of N-[2-cyclohexyl-1-(3-hydroxypropyl)benzimidazol-5-yl]-N-hydroxyprop-2-enamide (CID 87516617) is N-[2-cyclohexyl-1-(3-hydroxypropyl)benzimidazol-5-yl]-N-hydroxyprop-2-enamide.
What is the SMILES notation for N-[2-cyclohexyl-1-(3-hydroxypropyl)benzimidazol-5-yl]-N-hydroxyprop-2-enamide?
The canonical SMILES for N-[2-cyclohexyl-1-(3-hydroxypropyl)benzimidazol-5-yl]-N-hydroxyprop-2-enamide is C=CC(=O)N(O)c1ccc2c(c1)nc(C1CCCCC1)n2CCCO.
What is the InChIKey of N-[2-cyclohexyl-1-(3-hydroxypropyl)benzimidazol-5-yl]-N-hydroxyprop-2-enamide?
The InChIKey is PYMFTGWZTPXDMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25N3O3/c1-2-18(24)22(25)15-9-10-17-16(13-15)20-19(21(17)11-6-12-23)14-7-4-3-5-8-14/h2,9-10,13-14,23,25H,1,3-8,11-12H2.
What are the key properties of N-[2-cyclohexyl-1-(3-hydroxypropyl)benzimidazol-5-yl]-N-hydroxyprop-2-enamide?
N-[2-cyclohexyl-1-(3-hydroxypropyl)benzimidazol-5-yl]-N-hydroxyprop-2-enamide has a molecular weight of 343.43 g/mol, XLogP of 3.37, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-cyclohexyl-1-(3-hydroxypropyl)benzimidazol-5-yl]-N-hydroxyprop-2-enamide is sourced from PubChem (CID 87516617), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).