N'-(1H-benzimidazol-2-yl)-N-[dimethylamino(methyl)phosphoryl]-N-phenylethanimidamide

C18H22N5OP — CID 134885693

IUPACN'-(1H-benzimidazol-2-yl)-N-[dimethylamino(methyl)phosphoryl]-N-phenylethanimidamide
SMILESC/C(=N/c1nc2ccccc2[nH]1)N(c1ccccc1)P(C)(=O)N(C)C
InChIInChI=1S/C18H22N5OP/c1-14(19-18-20-16-12-8-9-13-17(16)21-18)23(25(4,24)22(2)3)15-10-6-5-7-11-15/h5-13H,1-4H3,(H,20,21)/b19-14-
InChIKeyVOOSAWHVYUDDOZ-RGEXLXHISA-N
MW355.38 g/mol
LogP4.50
Rot. Bonds4

About N'-(1H-benzimidazol-2-yl)-N-[dimethylamino(methyl)phosphoryl]-N-phenylethanimidamide

N'-(1H-benzimidazol-2-yl)-N-[dimethylamino(methyl)phosphoryl]-N-phenylethanimidamide (PubChem CID 134885693) has the molecular formula C18H22N5OP and a molecular weight of 355.38 g/mol. Its IUPAC name is N'-(1H-benzimidazol-2-yl)-N-[dimethylamino(methyl)phosphoryl]-N-phenylethanimidamide.

Molecular Properties

Compound NameN'-(1H-benzimidazol-2-yl)-N-[dimethylamino(methyl)phosphoryl]-N-phenylethanimidamide
PubChem CID134885693
Molecular FormulaC18H22N5OP
Molecular Weight355.38 g/mol
Exact Mass355.16
IUPAC NameN'-(1H-benzimidazol-2-yl)-N-[dimethylamino(methyl)phosphoryl]-N-phenylethanimidamide
SMILESC/C(=N/c1nc2ccccc2[nH]1)N(c1ccccc1)P(C)(=O)N(C)C
InChIInChI=1S/C18H22N5OP/c1-14(19-18-20-16-12-8-9-13-17(16)21-18)23(25(4,24)22(2)3)15-10-6-5-7-11-15/h5-13H,1-4H3,(H,20,21)/b19-14-
InChIKeyVOOSAWHVYUDDOZ-RGEXLXHISA-N
XLogP4.50
TPSA64.59 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.38
LogP ≤ 54.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'phosphor', 'substructure': 'N/A'}

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Related Compounds

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N-(1H-benzimidazol-2-yl)-1-naphthalen-2-ylethanimine
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2-[4-(1H-benzimidazol-2-yl)-N-methylanilino]ethanol
CID 139235304
4-(1H-benzimidazol-2-yl)-N,N-dimethylaniline;ethane
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N,N-diethyl-3-oxo-4H-quinoxaline-2-carboxamide
CID 10444556
N,N-dimethyl-1H-benzimidazole-2-sulfonamide
CID 23041875
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CID 17846

Frequently Asked Questions

What is the IUPAC name of N'-(1H-benzimidazol-2-yl)-N-[dimethylamino(methyl)phosphoryl]-N-phenylethanimidamide?
The IUPAC name of N'-(1H-benzimidazol-2-yl)-N-[dimethylamino(methyl)phosphoryl]-N-phenylethanimidamide (CID 134885693) is N'-(1H-benzimidazol-2-yl)-N-[dimethylamino(methyl)phosphoryl]-N-phenylethanimidamide.
What is the SMILES notation for N'-(1H-benzimidazol-2-yl)-N-[dimethylamino(methyl)phosphoryl]-N-phenylethanimidamide?
The canonical SMILES for N'-(1H-benzimidazol-2-yl)-N-[dimethylamino(methyl)phosphoryl]-N-phenylethanimidamide is C/C(=N/c1nc2ccccc2[nH]1)N(c1ccccc1)P(C)(=O)N(C)C.
What is the InChIKey of N'-(1H-benzimidazol-2-yl)-N-[dimethylamino(methyl)phosphoryl]-N-phenylethanimidamide?
The InChIKey is VOOSAWHVYUDDOZ-RGEXLXHISA-N. The full InChI is InChI=1S/C18H22N5OP/c1-14(19-18-20-16-12-8-9-13-17(16)21-18)23(25(4,24)22(2)3)15-10-6-5-7-11-15/h5-13H,1-4H3,(H,20,21)/b19-14-.
What are the key properties of N'-(1H-benzimidazol-2-yl)-N-[dimethylamino(methyl)phosphoryl]-N-phenylethanimidamide?
N'-(1H-benzimidazol-2-yl)-N-[dimethylamino(methyl)phosphoryl]-N-phenylethanimidamide has a molecular weight of 355.38 g/mol, XLogP of 4.50, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(1H-benzimidazol-2-yl)-N-[dimethylamino(methyl)phosphoryl]-N-phenylethanimidamide is sourced from PubChem (CID 134885693), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).