N-ethyl-6-phosphanyl-1H-benzimidazol-2-amine

C9H12N3P — CID 162722217

IUPACN-ethyl-6-phosphanyl-1H-benzimidazol-2-amine
SMILESCCNc1nc2ccc(P)cc2[nH]1
InChIInChI=1S/C9H12N3P/c1-2-10-9-11-7-4-3-6(13)5-8(7)12-9/h3-5H,2,13H2,1H3,(H2,10,11,12)
InChIKeyFKEJKOHBIFATTR-UHFFFAOYSA-N
MW193.19 g/mol
LogP1.50
Rot. Bonds2

About N-ethyl-6-phosphanyl-1H-benzimidazol-2-amine

N-ethyl-6-phosphanyl-1H-benzimidazol-2-amine (PubChem CID 162722217) has the molecular formula C9H12N3P and a molecular weight of 193.19 g/mol. Its IUPAC name is N-ethyl-6-phosphanyl-1H-benzimidazol-2-amine.

Molecular Properties

Compound NameN-ethyl-6-phosphanyl-1H-benzimidazol-2-amine
PubChem CID162722217
Molecular FormulaC9H12N3P
Molecular Weight193.19 g/mol
Exact Mass193.08
IUPAC NameN-ethyl-6-phosphanyl-1H-benzimidazol-2-amine
SMILESCCNc1nc2ccc(P)cc2[nH]1
InChIInChI=1S/C9H12N3P/c1-2-10-9-11-7-4-3-6(13)5-8(7)12-9/h3-5H,2,13H2,1H3,(H2,10,11,12)
InChIKeyFKEJKOHBIFATTR-UHFFFAOYSA-N
XLogP1.50
TPSA40.71 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.19
LogP ≤ 51.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-ethyl-6-methylidenephosphanyloxy-1H-benzimidazol-2-amine
CID 91057864
2-N-ethyl-5-N-[(4-fluorophenyl)methyl]-3H-benzimidazole-2,5-diamine
CID 110170414
N-butyl-6-iodo-1H-benzimidazol-2-amine
CID 162670767
2-N-(3-methylpentan-3-yl)-3H-benzimidazole-2,5-diamine
CID 106328017
ethyl 2-[(6-methyl-1H-benzimidazol-2-yl)amino]acetate
CID 82562533
N-decyl-6-fluoro-1H-benzimidazol-2-amine
CID 103295033
methyl 2-[(6-methoxy-1H-benzimidazol-2-yl)amino]acetate
CID 82562607
3-[(6-methyl-1H-benzimidazol-2-yl)amino]propan-1-ol
CID 2053602
2-[(2-methoxy-2-oxoethyl)amino]-3H-benzimidazole-5-carboxylic acid
CID 54123271
N-(6-fluoro-1H-benzimidazol-2-yl)-N',N'-dimethylethane-1,2-diamine
CID 103294650
N-[(4-fluorophenyl)methyl]-6-methyl-1H-benzimidazol-2-amine
CID 110376658
6-chloro-N-[(4-chlorophenyl)methyl]-1H-benzimidazol-2-amine
CID 82562708

Frequently Asked Questions

What is the IUPAC name of N-ethyl-6-phosphanyl-1H-benzimidazol-2-amine?
The IUPAC name of N-ethyl-6-phosphanyl-1H-benzimidazol-2-amine (CID 162722217) is N-ethyl-6-phosphanyl-1H-benzimidazol-2-amine.
What is the SMILES notation for N-ethyl-6-phosphanyl-1H-benzimidazol-2-amine?
The canonical SMILES for N-ethyl-6-phosphanyl-1H-benzimidazol-2-amine is CCNc1nc2ccc(P)cc2[nH]1.
What is the InChIKey of N-ethyl-6-phosphanyl-1H-benzimidazol-2-amine?
The InChIKey is FKEJKOHBIFATTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12N3P/c1-2-10-9-11-7-4-3-6(13)5-8(7)12-9/h3-5H,2,13H2,1H3,(H2,10,11,12).
What are the key properties of N-ethyl-6-phosphanyl-1H-benzimidazol-2-amine?
N-ethyl-6-phosphanyl-1H-benzimidazol-2-amine has a molecular weight of 193.19 g/mol, XLogP of 1.50, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-6-phosphanyl-1H-benzimidazol-2-amine is sourced from PubChem (CID 162722217), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).