(2R)-2-(1H-benzimidazol-2-yl)-N'-hydroxy-3-(4-methoxyphenyl)propanimidamide

C17H18N4O2 — CID 6340360

IUPAC(2R)-2-(1H-benzimidazol-2-yl)-N'-hydroxy-3-(4-methoxyphenyl)propanimidamide
SMILESCOc1ccc(C[C@@H](/C(N)=N\O)c2nc3ccccc3[nH]2)cc1
InChIInChI=1S/C17H18N4O2/c1-23-12-8-6-11(7-9-12)10-13(16(18)21-22)17-19-14-4-2-3-5-15(14)20-17/h2-9,13,22H,10H2,1H3,(H2,18,21)(H,19,20)/t13-/m0/s1
InChIKeyRBIASKMRMMONJK-ZDUSSCGKSA-N
MW310.36 g/mol
LogP2.64
Rot. Bonds5

About (2R)-2-(1H-benzimidazol-2-yl)-N'-hydroxy-3-(4-methoxyphenyl)propanimidamide

(2R)-2-(1H-benzimidazol-2-yl)-N'-hydroxy-3-(4-methoxyphenyl)propanimidamide (PubChem CID 6340360) has the molecular formula C17H18N4O2 and a molecular weight of 310.36 g/mol. Its IUPAC name is (2R)-2-(1H-benzimidazol-2-yl)-N'-hydroxy-3-(4-methoxyphenyl)propanimidamide.

Molecular Properties

Compound Name(2R)-2-(1H-benzimidazol-2-yl)-N'-hydroxy-3-(4-methoxyphenyl)propanimidamide
PubChem CID6340360
Molecular FormulaC17H18N4O2
Molecular Weight310.36 g/mol
Exact Mass310.14
IUPAC Name(2R)-2-(1H-benzimidazol-2-yl)-N'-hydroxy-3-(4-methoxyphenyl)propanimidamide
SMILESCOc1ccc(C[C@@H](/C(N)=N\O)c2nc3ccccc3[nH]2)cc1
InChIInChI=1S/C17H18N4O2/c1-23-12-8-6-11(7-9-12)10-13(16(18)21-22)17-19-14-4-2-3-5-15(14)20-17/h2-9,13,22H,10H2,1H3,(H2,18,21)(H,19,20)/t13-/m0/s1
InChIKeyRBIASKMRMMONJK-ZDUSSCGKSA-N
XLogP2.64
TPSA96.52 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.36
LogP ≤ 52.64
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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

2-(1H-benzimidazol-2-yl)-N'-hydroxy-3-(4-methoxyphenyl)propanimidamide;2,7-diamino-5-(4-fluorophenyl)-4-oxo-5,6-dihydro-3H-pyrido[2,3-d]pyrimidine-6-carbonitrile
CID 172957473
(1R)-1-(6-methoxy-1H-benzimidazol-2-yl)-2-(4-methoxyphenyl)ethanamine
CID 121471175
N-[1-(1H-benzimidazol-2-yl)-2-methylpropyl]-2-(4-methoxyphenyl)acetamide
CID 51158115
2-(1H-benzimidazol-2-yl)-4-(4-methoxyphenyl)-3-oxobutanenitrile
CID 86977594
1-[(1R)-1-(1H-benzimidazol-2-yl)-2-(4-methoxyphenyl)ethyl]-3-cyclopent-3-en-1-ylurea
CID 121471566
1-(1H-benzimidazol-2-yl)-2-(2,6-difluoro-4-methoxyphenyl)ethanamine
CID 121471409
N-[(1R,2S)-1-(1H-benzimidazol-2-yl)-2-methylbutyl]-2-(4-methoxyphenyl)acetamide
CID 124873697
1-[(1R)-1-(1H-benzimidazol-2-yl)-2-(4-methoxyphenyl)ethyl]-3-[2-(4-methylphenyl)ethyl]urea
CID 121471282
1-[1-(1H-benzimidazol-2-yl)-2-(4-methoxyphenyl)ethyl]-3-[2-(4-methylphenyl)ethyl]urea
CID 121471284
1-[(1R)-1-(1H-benzimidazol-2-yl)-2-(4-methoxyphenyl)ethyl]-3-pyrrolidin-3-ylurea
CID 121471144
N-[1-(1H-benzimidazol-2-yl)ethyl]-4-methoxyaniline
CID 53411479
1-[(1R)-1-(1H-benzimidazol-2-yl)-2-(4-methoxyphenyl)ethyl]-3-[(1S,2R)-2-hydroxycyclopentyl]urea
CID 121471261

Frequently Asked Questions

What is the IUPAC name of (2R)-2-(1H-benzimidazol-2-yl)-N'-hydroxy-3-(4-methoxyphenyl)propanimidamide?
The IUPAC name of (2R)-2-(1H-benzimidazol-2-yl)-N'-hydroxy-3-(4-methoxyphenyl)propanimidamide (CID 6340360) is (2R)-2-(1H-benzimidazol-2-yl)-N'-hydroxy-3-(4-methoxyphenyl)propanimidamide.
What is the SMILES notation for (2R)-2-(1H-benzimidazol-2-yl)-N'-hydroxy-3-(4-methoxyphenyl)propanimidamide?
The canonical SMILES for (2R)-2-(1H-benzimidazol-2-yl)-N'-hydroxy-3-(4-methoxyphenyl)propanimidamide is COc1ccc(C[C@@H](/C(N)=N\O)c2nc3ccccc3[nH]2)cc1.
What is the InChIKey of (2R)-2-(1H-benzimidazol-2-yl)-N'-hydroxy-3-(4-methoxyphenyl)propanimidamide?
The InChIKey is RBIASKMRMMONJK-ZDUSSCGKSA-N. The full InChI is InChI=1S/C17H18N4O2/c1-23-12-8-6-11(7-9-12)10-13(16(18)21-22)17-19-14-4-2-3-5-15(14)20-17/h2-9,13,22H,10H2,1H3,(H2,18,21)(H,19,20)/t13-/m0/s1.
What are the key properties of (2R)-2-(1H-benzimidazol-2-yl)-N'-hydroxy-3-(4-methoxyphenyl)propanimidamide?
(2R)-2-(1H-benzimidazol-2-yl)-N'-hydroxy-3-(4-methoxyphenyl)propanimidamide has a molecular weight of 310.36 g/mol, XLogP of 2.64, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-(1H-benzimidazol-2-yl)-N'-hydroxy-3-(4-methoxyphenyl)propanimidamide is sourced from PubChem (CID 6340360), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).