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

C10H12N3OP — CID 91057864

IUPACN-ethyl-6-methylidenephosphanyloxy-1H-benzimidazol-2-amine
SMILESC=POc1ccc2nc(NCC)[nH]c2c1
InChIInChI=1S/C10H12N3OP/c1-3-11-10-12-8-5-4-7(14-15-2)6-9(8)13-10/h4-6H,2-3H2,1H3,(H2,11,12,13)
InChIKeyHMOHXAJNJWWQEV-UHFFFAOYSA-N
MW221.20 g/mol
LogP2.67
Rot. Bonds4

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

N-ethyl-6-methylidenephosphanyloxy-1H-benzimidazol-2-amine (PubChem CID 91057864) has the molecular formula C10H12N3OP and a molecular weight of 221.20 g/mol. Its IUPAC name is N-ethyl-6-methylidenephosphanyloxy-1H-benzimidazol-2-amine.

Molecular Properties

Compound NameN-ethyl-6-methylidenephosphanyloxy-1H-benzimidazol-2-amine
PubChem CID91057864
Molecular FormulaC10H12N3OP
Molecular Weight221.20 g/mol
Exact Mass221.07
IUPAC NameN-ethyl-6-methylidenephosphanyloxy-1H-benzimidazol-2-amine
SMILESC=POc1ccc2nc(NCC)[nH]c2c1
InChIInChI=1S/C10H12N3OP/c1-3-11-10-12-8-5-4-7(14-15-2)6-9(8)13-10/h4-6H,2-3H2,1H3,(H2,11,12,13)
InChIKeyHMOHXAJNJWWQEV-UHFFFAOYSA-N
XLogP2.67
TPSA49.94 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.20
LogP ≤ 52.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-ethyl-6-phosphanyl-1H-benzimidazol-2-amine
CID 162722217
2-N-ethyl-5-N-[(4-fluorophenyl)methyl]-3H-benzimidazole-2,5-diamine
CID 110170414
methyl 2-[(6-methoxy-1H-benzimidazol-2-yl)amino]acetate
CID 82562607
2-[(6-methoxy-1H-benzimidazol-2-yl)amino]acetic acid
CID 82562608
6-methoxy-N-methyl-1H-benzimidazol-2-amine
CID 82562601
2-(ethylamino)-6-methoxy-3H-quinazolin-4-one
CID 137287759
N-(2-butoxyethyl)-6-fluoro-1H-benzimidazol-2-amine
CID 103294786
6-ethoxy-N-(4-methoxyphenyl)-1H-benzimidazol-2-amine
CID 50878343
6-methoxy-N-[(1,4,5,8-tetramethoxynaphthalen-2-yl)methyl]-1H-benzimidazol-2-amine
CID 129189179
N-[(3-chlorophenyl)methyl]-6-methoxy-1H-benzimidazol-2-amine
CID 82564361
[2-(cyclopropanecarbonylamino)-3H-benzimidazol-5-yl] 4-(ethylamino)benzenesulfonate
CID 22146996
2-N-(3-methylpentan-3-yl)-3H-benzimidazole-2,5-diamine
CID 106328017

Frequently Asked Questions

What is the IUPAC name of N-ethyl-6-methylidenephosphanyloxy-1H-benzimidazol-2-amine?
The IUPAC name of N-ethyl-6-methylidenephosphanyloxy-1H-benzimidazol-2-amine (CID 91057864) is N-ethyl-6-methylidenephosphanyloxy-1H-benzimidazol-2-amine.
What is the SMILES notation for N-ethyl-6-methylidenephosphanyloxy-1H-benzimidazol-2-amine?
The canonical SMILES for N-ethyl-6-methylidenephosphanyloxy-1H-benzimidazol-2-amine is C=POc1ccc2nc(NCC)[nH]c2c1.
What is the InChIKey of N-ethyl-6-methylidenephosphanyloxy-1H-benzimidazol-2-amine?
The InChIKey is HMOHXAJNJWWQEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12N3OP/c1-3-11-10-12-8-5-4-7(14-15-2)6-9(8)13-10/h4-6H,2-3H2,1H3,(H2,11,12,13).
What are the key properties of N-ethyl-6-methylidenephosphanyloxy-1H-benzimidazol-2-amine?
N-ethyl-6-methylidenephosphanyloxy-1H-benzimidazol-2-amine has a molecular weight of 221.20 g/mol, XLogP of 2.67, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-6-methylidenephosphanyloxy-1H-benzimidazol-2-amine is sourced from PubChem (CID 91057864), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).