2-[1-[3-(dimethylamino)propyl]benzimidazol-2-yl]-N'-hydroxyethanimidamide

C14H21N5O — CID 114526601

IUPAC2-[1-[3-(dimethylamino)propyl]benzimidazol-2-yl]-N'-hydroxyethanimidamide
SMILESCN(C)CCCn1c(C/C(N)=N/O)nc2ccccc21
InChIInChI=1S/C14H21N5O/c1-18(2)8-5-9-19-12-7-4-3-6-11(12)16-14(19)10-13(15)17-20/h3-4,6-7,20H,5,8-10H2,1-2H3,(H2,15,17)
InChIKeyCATZWYUEFUKAEM-UHFFFAOYSA-N
MW275.36 g/mol
LogP1.28
Rot. Bonds6

About 2-[1-[3-(dimethylamino)propyl]benzimidazol-2-yl]-N'-hydroxyethanimidamide

2-[1-[3-(dimethylamino)propyl]benzimidazol-2-yl]-N'-hydroxyethanimidamide (PubChem CID 114526601) has the molecular formula C14H21N5O and a molecular weight of 275.36 g/mol. Its IUPAC name is 2-[1-[3-(dimethylamino)propyl]benzimidazol-2-yl]-N'-hydroxyethanimidamide.

Molecular Properties

Compound Name2-[1-[3-(dimethylamino)propyl]benzimidazol-2-yl]-N'-hydroxyethanimidamide
PubChem CID114526601
Molecular FormulaC14H21N5O
Molecular Weight275.36 g/mol
Exact Mass275.17
IUPAC Name2-[1-[3-(dimethylamino)propyl]benzimidazol-2-yl]-N'-hydroxyethanimidamide
SMILESCN(C)CCCn1c(C/C(N)=N/O)nc2ccccc21
InChIInChI=1S/C14H21N5O/c1-18(2)8-5-9-19-12-7-4-3-6-11(12)16-14(19)10-13(15)17-20/h3-4,6-7,20H,5,8-10H2,1-2H3,(H2,15,17)
InChIKeyCATZWYUEFUKAEM-UHFFFAOYSA-N
XLogP1.28
TPSA79.67 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.36
LogP ≤ 51.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'oxime_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N'-hydroxy-2-[1-(4,4,4-trifluorobutyl)benzimidazol-2-yl]ethanimidamide
CID 115518307
N'-hydroxy-2-[1-(2-propan-2-yloxyethyl)benzimidazol-2-yl]ethanimidamide
CID 77002937
N-[[1-[3-(dimethylamino)propyl]benzimidazol-2-yl]methyl]acetamide
CID 52904872
N,N-dimethyl-3-(1-propylbenzimidazol-2-yl)propan-1-amine
CID 170866848
2-(1-butylbenzimidazol-2-yl)ethanethioamide
CID 55244550
N'-hydroxy-5-(2-methylbenzimidazol-1-yl)pentanimidamide
CID 54965968
4-[[3-[[1-[2-(dimethylamino)ethyl]benzimidazol-2-yl]methyl]-2-oxobenzimidazol-1-yl]methyl]-N'-hydroxybenzenecarboximidamide
CID 23551470
4-[[3-[[1-[2-(dimethylamino)ethyl]benzimidazol-2-yl]methyl]-2-oxobenzimidazol-1-yl]methyl]-N'-hydroxybenzenecarboximidamide
CID 74062106
2-[1-(4,4,4-trifluorobutyl)benzimidazol-2-yl]ethanethioamide
CID 115518301
1-[1-[3-(dimethylamino)propyl]benzimidazol-2-yl]-3-methylbutan-1-amine
CID 82024804
2-[1-(3-ethylsulfonylpropyl)benzimidazol-2-yl]ethanethioamide
CID 65096873
N-[1-[3-(dimethylamino)propyl]benzimidazol-2-yl]propanamide
CID 745084

Frequently Asked Questions

What is the IUPAC name of 2-[1-[3-(dimethylamino)propyl]benzimidazol-2-yl]-N'-hydroxyethanimidamide?
The IUPAC name of 2-[1-[3-(dimethylamino)propyl]benzimidazol-2-yl]-N'-hydroxyethanimidamide (CID 114526601) is 2-[1-[3-(dimethylamino)propyl]benzimidazol-2-yl]-N'-hydroxyethanimidamide.
What is the SMILES notation for 2-[1-[3-(dimethylamino)propyl]benzimidazol-2-yl]-N'-hydroxyethanimidamide?
The canonical SMILES for 2-[1-[3-(dimethylamino)propyl]benzimidazol-2-yl]-N'-hydroxyethanimidamide is CN(C)CCCn1c(C/C(N)=N/O)nc2ccccc21.
What is the InChIKey of 2-[1-[3-(dimethylamino)propyl]benzimidazol-2-yl]-N'-hydroxyethanimidamide?
The InChIKey is CATZWYUEFUKAEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N5O/c1-18(2)8-5-9-19-12-7-4-3-6-11(12)16-14(19)10-13(15)17-20/h3-4,6-7,20H,5,8-10H2,1-2H3,(H2,15,17).
What are the key properties of 2-[1-[3-(dimethylamino)propyl]benzimidazol-2-yl]-N'-hydroxyethanimidamide?
2-[1-[3-(dimethylamino)propyl]benzimidazol-2-yl]-N'-hydroxyethanimidamide has a molecular weight of 275.36 g/mol, XLogP of 1.28, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[3-(dimethylamino)propyl]benzimidazol-2-yl]-N'-hydroxyethanimidamide is sourced from PubChem (CID 114526601), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).