N-(hydrazinylmethyl)-1-(2-methyl-3H-benzimidazol-5-yl)methanamine

C10H15N5 — CID 115260836

IUPACN-(hydrazinylmethyl)-1-(2-methyl-3H-benzimidazol-5-yl)methanamine
SMILESCc1nc2ccc(CNCNN)cc2[nH]1
InChIInChI=1S/C10H15N5/c1-7-14-9-3-2-8(4-10(9)15-7)5-12-6-13-11/h2-4,12-13H,5-6,11H2,1H3,(H,14,15)
InChIKeyLEBSSSZSKHCYSX-UHFFFAOYSA-N
MW205.26 g/mol
LogP0.38
Rot. Bonds4

About N-(hydrazinylmethyl)-1-(2-methyl-3H-benzimidazol-5-yl)methanamine

N-(hydrazinylmethyl)-1-(2-methyl-3H-benzimidazol-5-yl)methanamine (PubChem CID 115260836) has the molecular formula C10H15N5 and a molecular weight of 205.26 g/mol. Its IUPAC name is N-(hydrazinylmethyl)-1-(2-methyl-3H-benzimidazol-5-yl)methanamine.

Molecular Properties

Compound NameN-(hydrazinylmethyl)-1-(2-methyl-3H-benzimidazol-5-yl)methanamine
PubChem CID115260836
Molecular FormulaC10H15N5
Molecular Weight205.26 g/mol
Exact Mass205.13
IUPAC NameN-(hydrazinylmethyl)-1-(2-methyl-3H-benzimidazol-5-yl)methanamine
SMILESCc1nc2ccc(CNCNN)cc2[nH]1
InChIInChI=1S/C10H15N5/c1-7-14-9-3-2-8(4-10(9)15-7)5-12-6-13-11/h2-4,12-13H,5-6,11H2,1H3,(H,14,15)
InChIKeyLEBSSSZSKHCYSX-UHFFFAOYSA-N
XLogP0.38
TPSA78.76 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.26
LogP ≤ 50.38
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

N-methyl-N'-[(2-methyl-3H-benzimidazol-5-yl)methyl]ethane-1,2-diamine
CID 115195888
(2-methyl-3H-benzimidazol-5-yl)methylcarbamic acid
CID 115170893
N-[[1-(aminomethyl)cyclopropyl]methyl]-1-(2-methyl-3H-benzimidazol-5-yl)methanamine
CID 115244142
4-[(2-methyl-3H-benzimidazol-5-yl)methylamino]butan-2-one
CID 115235708
2-hydroxy-N-[(2-methyl-3H-benzimidazol-5-yl)methyl]acetamide
CID 115139875
3-methyl-3-N-[(2-methyl-3H-benzimidazol-5-yl)methyl]butane-1,3-diamine
CID 115134746
2-amino-4-[(2-methyl-3H-benzimidazol-5-yl)methylamino]butanoic acid
CID 115241223
2-N-[(2-methyl-3H-benzimidazol-5-yl)methyl]benzene-1,2-diamine
CID 115124486
1-[[(2-methyl-3H-benzimidazol-5-yl)methylamino]methyl]cyclopropane-1-carbonitrile
CID 115242286
N-methyl-4-(2-methyl-3H-benzimidazol-5-yl)butan-1-amine
CID 96671773
3-methyl-2-N-[(2-methyl-3H-benzimidazol-5-yl)methyl]benzene-1,2-diamine
CID 115126073
2-(4-chlorophenyl)-N-[(2-methyl-3H-benzimidazol-5-yl)methyl]acetamide
CID 110785613

Frequently Asked Questions

What is the IUPAC name of N-(hydrazinylmethyl)-1-(2-methyl-3H-benzimidazol-5-yl)methanamine?
The IUPAC name of N-(hydrazinylmethyl)-1-(2-methyl-3H-benzimidazol-5-yl)methanamine (CID 115260836) is N-(hydrazinylmethyl)-1-(2-methyl-3H-benzimidazol-5-yl)methanamine.
What is the SMILES notation for N-(hydrazinylmethyl)-1-(2-methyl-3H-benzimidazol-5-yl)methanamine?
The canonical SMILES for N-(hydrazinylmethyl)-1-(2-methyl-3H-benzimidazol-5-yl)methanamine is Cc1nc2ccc(CNCNN)cc2[nH]1.
What is the InChIKey of N-(hydrazinylmethyl)-1-(2-methyl-3H-benzimidazol-5-yl)methanamine?
The InChIKey is LEBSSSZSKHCYSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15N5/c1-7-14-9-3-2-8(4-10(9)15-7)5-12-6-13-11/h2-4,12-13H,5-6,11H2,1H3,(H,14,15).
What are the key properties of N-(hydrazinylmethyl)-1-(2-methyl-3H-benzimidazol-5-yl)methanamine?
N-(hydrazinylmethyl)-1-(2-methyl-3H-benzimidazol-5-yl)methanamine has a molecular weight of 205.26 g/mol, XLogP of 0.38, 4 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(hydrazinylmethyl)-1-(2-methyl-3H-benzimidazol-5-yl)methanamine is sourced from PubChem (CID 115260836), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).