N,N-dimethyl-1-(6-methylphosphanyl-1H-benzimidazol-2-yl)methanamine

C11H16N3P — CID 143719446

IUPACN,N-dimethyl-1-(6-methylphosphanyl-1H-benzimidazol-2-yl)methanamine
SMILESCPc1ccc2nc(CN(C)C)[nH]c2c1
InChIInChI=1S/C11H16N3P/c1-14(2)7-11-12-9-5-4-8(15-3)6-10(9)13-11/h4-6,15H,7H2,1-3H3,(H,12,13)
InChIKeyAABHKTWGKFVTRR-UHFFFAOYSA-N
MW221.24 g/mol
LogP1.56
Rot. Bonds3

About N,N-dimethyl-1-(6-methylphosphanyl-1H-benzimidazol-2-yl)methanamine

N,N-dimethyl-1-(6-methylphosphanyl-1H-benzimidazol-2-yl)methanamine (PubChem CID 143719446) has the molecular formula C11H16N3P and a molecular weight of 221.24 g/mol. Its IUPAC name is N,N-dimethyl-1-(6-methylphosphanyl-1H-benzimidazol-2-yl)methanamine.

Molecular Properties

Compound NameN,N-dimethyl-1-(6-methylphosphanyl-1H-benzimidazol-2-yl)methanamine
PubChem CID143719446
Molecular FormulaC11H16N3P
Molecular Weight221.24 g/mol
Exact Mass221.11
IUPAC NameN,N-dimethyl-1-(6-methylphosphanyl-1H-benzimidazol-2-yl)methanamine
SMILESCPc1ccc2nc(CN(C)C)[nH]c2c1
InChIInChI=1S/C11H16N3P/c1-14(2)7-11-12-9-5-4-8(15-3)6-10(9)13-11/h4-6,15H,7H2,1-3H3,(H,12,13)
InChIKeyAABHKTWGKFVTRR-UHFFFAOYSA-N
XLogP1.56
TPSA31.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.24
LogP ≤ 51.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-1-(6-methylphosphanyl-1H-benzimidazol-2-yl)methanamine?
The IUPAC name of N,N-dimethyl-1-(6-methylphosphanyl-1H-benzimidazol-2-yl)methanamine (CID 143719446) is N,N-dimethyl-1-(6-methylphosphanyl-1H-benzimidazol-2-yl)methanamine.
What is the SMILES notation for N,N-dimethyl-1-(6-methylphosphanyl-1H-benzimidazol-2-yl)methanamine?
The canonical SMILES for N,N-dimethyl-1-(6-methylphosphanyl-1H-benzimidazol-2-yl)methanamine is CPc1ccc2nc(CN(C)C)[nH]c2c1.
What is the InChIKey of N,N-dimethyl-1-(6-methylphosphanyl-1H-benzimidazol-2-yl)methanamine?
The InChIKey is AABHKTWGKFVTRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N3P/c1-14(2)7-11-12-9-5-4-8(15-3)6-10(9)13-11/h4-6,15H,7H2,1-3H3,(H,12,13).
What are the key properties of N,N-dimethyl-1-(6-methylphosphanyl-1H-benzimidazol-2-yl)methanamine?
N,N-dimethyl-1-(6-methylphosphanyl-1H-benzimidazol-2-yl)methanamine has a molecular weight of 221.24 g/mol, XLogP of 1.56, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-1-(6-methylphosphanyl-1H-benzimidazol-2-yl)methanamine is sourced from PubChem (CID 143719446), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).