N-bis(1H-imidazol-2-ylamino)phosphinimyl-1H-imidazol-2-amine

C9H13N10P — CID 86091118

IUPACN-bis(1H-imidazol-2-ylamino)phosphinimyl-1H-imidazol-2-amine
SMILES[H]N=P(Nc1ncc[nH]1)(Nc1ncc[nH]1)Nc1ncc[nH]1
InChIInChI=1S/C9H13N10P/c10-20(17-7-11-1-2-12-7,18-8-13-3-4-14-8)19-9-15-5-6-16-9/h1-6H,(H7,10,11,12,13,14,15,16,17,18,19)
InChIKeyCRLVXZPDWZJQEC-UHFFFAOYSA-N
MW292.25 g/mol
LogP2.02
Rot. Bonds6

About N-bis(1H-imidazol-2-ylamino)phosphinimyl-1H-imidazol-2-amine

N-bis(1H-imidazol-2-ylamino)phosphinimyl-1H-imidazol-2-amine (PubChem CID 86091118) has the molecular formula C9H13N10P and a molecular weight of 292.25 g/mol. Its IUPAC name is N-bis(1H-imidazol-2-ylamino)phosphinimyl-1H-imidazol-2-amine.

Molecular Properties

Compound NameN-bis(1H-imidazol-2-ylamino)phosphinimyl-1H-imidazol-2-amine
PubChem CID86091118
Molecular FormulaC9H13N10P
Molecular Weight292.25 g/mol
Exact Mass292.11
IUPAC NameN-bis(1H-imidazol-2-ylamino)phosphinimyl-1H-imidazol-2-amine
SMILES[H]N=P(Nc1ncc[nH]1)(Nc1ncc[nH]1)Nc1ncc[nH]1
InChIInChI=1S/C9H13N10P/c10-20(17-7-11-1-2-12-7,18-8-13-3-4-14-8)19-9-15-5-6-16-9/h1-6H,(H7,10,11,12,13,14,15,16,17,18,19)
InChIKeyCRLVXZPDWZJQEC-UHFFFAOYSA-N
XLogP2.02
TPSA145.98 Ų
H-Bond Donors7
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500292.25
LogP ≤ 52.02
H-Bond Donors ≤ 57
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-diaminophosphinimyl-1H-imidazol-2-amine
CID 86091116
N-methylsulfanyl-1H-imidazol-2-amine
CID 163525236
N-ethenyl-1H-imidazol-2-amine
CID 119083694
N-propan-2-yl-1H-imidazol-2-amine
CID 55300557
N-hexan-2-yl-1H-imidazol-2-amine
CID 106569743
methane;N-propan-2-yl-1H-imidazol-2-amine
CID 158008675
1-N-(1H-imidazol-2-yl)propane-1,2-diamine
CID 139950297
N-prop-1-en-2-yl-1H-imidazol-2-amine
CID 142057882
N-(1H-imidazol-2-yl)ethanethioamide
CID 54241450
N-(4-fluorophenyl)-1H-imidazol-2-amine
CID 83695842
N-(ethylsulfonimidoyl)-1H-imidazol-2-amine
CID 164657237
N-(thietan-3-yl)-1H-imidazol-2-amine
CID 141181215

Frequently Asked Questions

What is the IUPAC name of N-bis(1H-imidazol-2-ylamino)phosphinimyl-1H-imidazol-2-amine?
The IUPAC name of N-bis(1H-imidazol-2-ylamino)phosphinimyl-1H-imidazol-2-amine (CID 86091118) is N-bis(1H-imidazol-2-ylamino)phosphinimyl-1H-imidazol-2-amine.
What is the SMILES notation for N-bis(1H-imidazol-2-ylamino)phosphinimyl-1H-imidazol-2-amine?
The canonical SMILES for N-bis(1H-imidazol-2-ylamino)phosphinimyl-1H-imidazol-2-amine is [H]N=P(Nc1ncc[nH]1)(Nc1ncc[nH]1)Nc1ncc[nH]1.
What is the InChIKey of N-bis(1H-imidazol-2-ylamino)phosphinimyl-1H-imidazol-2-amine?
The InChIKey is CRLVXZPDWZJQEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13N10P/c10-20(17-7-11-1-2-12-7,18-8-13-3-4-14-8)19-9-15-5-6-16-9/h1-6H,(H7,10,11,12,13,14,15,16,17,18,19).
What are the key properties of N-bis(1H-imidazol-2-ylamino)phosphinimyl-1H-imidazol-2-amine?
N-bis(1H-imidazol-2-ylamino)phosphinimyl-1H-imidazol-2-amine has a molecular weight of 292.25 g/mol, XLogP of 2.02, 6 rotatable bonds, 7 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-bis(1H-imidazol-2-ylamino)phosphinimyl-1H-imidazol-2-amine is sourced from PubChem (CID 86091118), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).