hydrazinyl-(2-methyl-3H-benzimidazol-5-yl)methanamine

C9H13N5 — CID 116947494

IUPAChydrazinyl-(2-methyl-3H-benzimidazol-5-yl)methanamine
SMILESCc1nc2ccc(C(N)NN)cc2[nH]1
InChIInChI=1S/C9H13N5/c1-5-12-7-3-2-6(9(10)14-11)4-8(7)13-5/h2-4,9,14H,10-11H2,1H3,(H,12,13)
InChIKeyMZQHDPCBXPDIBU-UHFFFAOYSA-N
MW191.24 g/mol
LogP0.29
Rot. Bonds2

About hydrazinyl-(2-methyl-3H-benzimidazol-5-yl)methanamine

hydrazinyl-(2-methyl-3H-benzimidazol-5-yl)methanamine (PubChem CID 116947494) has the molecular formula C9H13N5 and a molecular weight of 191.24 g/mol. Its IUPAC name is hydrazinyl-(2-methyl-3H-benzimidazol-5-yl)methanamine.

Molecular Properties

Compound Namehydrazinyl-(2-methyl-3H-benzimidazol-5-yl)methanamine
PubChem CID116947494
Molecular FormulaC9H13N5
Molecular Weight191.24 g/mol
Exact Mass191.12
IUPAC Namehydrazinyl-(2-methyl-3H-benzimidazol-5-yl)methanamine
SMILESCc1nc2ccc(C(N)NN)cc2[nH]1
InChIInChI=1S/C9H13N5/c1-5-12-7-3-2-6(9(10)14-11)4-8(7)13-5/h2-4,9,14H,10-11H2,1H3,(H,12,13)
InChIKeyMZQHDPCBXPDIBU-UHFFFAOYSA-N
XLogP0.29
TPSA92.75 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.24
LogP ≤ 50.29
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

2-methyl-1-(2-methyl-3H-benzimidazol-5-yl)propan-1-amine
CID 82491804
2-methyl-6-propan-2-yl-1H-benzimidazole
CID 21069154
2,2,2-trifluoro-1-(2-methyl-3H-benzimidazol-5-yl)ethanamine
CID 116947203
4-[amino-(2-methyl-3H-benzimidazol-5-yl)methyl]-N-methylaniline
CID 116936897
methylamino-(2-methyl-3H-benzimidazol-5-yl)methanol
CID 116954709
3-amino-3-(2-methyl-3H-benzimidazol-5-yl)propane-1-thiol
CID 116831290
1-methoxy-N-methyl-1-(2-methyl-3H-benzimidazol-5-yl)methanamine
CID 116961533
3-amino-N-methyl-3-(2-methyl-3H-benzimidazol-5-yl)propanamide
CID 116850693
[1-(methylaminomethyl)cyclopropyl]-(2-methyl-3H-benzimidazol-5-yl)methanamine
CID 116943582
2-(methylamino)-2-(2-methyl-3H-benzimidazol-5-yl)acetamide
CID 116961662
3-amino-N'-methyl-3-(2-methyl-3H-benzimidazol-5-yl)propanehydrazide
CID 116849707
1-(2-methyl-3H-benzimidazol-5-yl)propane-1,2,3-triol
CID 170818053

Frequently Asked Questions

What is the IUPAC name of hydrazinyl-(2-methyl-3H-benzimidazol-5-yl)methanamine?
The IUPAC name of hydrazinyl-(2-methyl-3H-benzimidazol-5-yl)methanamine (CID 116947494) is hydrazinyl-(2-methyl-3H-benzimidazol-5-yl)methanamine.
What is the SMILES notation for hydrazinyl-(2-methyl-3H-benzimidazol-5-yl)methanamine?
The canonical SMILES for hydrazinyl-(2-methyl-3H-benzimidazol-5-yl)methanamine is Cc1nc2ccc(C(N)NN)cc2[nH]1.
What is the InChIKey of hydrazinyl-(2-methyl-3H-benzimidazol-5-yl)methanamine?
The InChIKey is MZQHDPCBXPDIBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13N5/c1-5-12-7-3-2-6(9(10)14-11)4-8(7)13-5/h2-4,9,14H,10-11H2,1H3,(H,12,13).
What are the key properties of hydrazinyl-(2-methyl-3H-benzimidazol-5-yl)methanamine?
hydrazinyl-(2-methyl-3H-benzimidazol-5-yl)methanamine has a molecular weight of 191.24 g/mol, XLogP of 0.29, 2 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for hydrazinyl-(2-methyl-3H-benzimidazol-5-yl)methanamine is sourced from PubChem (CID 116947494), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).