N'-(3H-benzimidazol-5-ylmethyl)-N-methylmethanediamine

C10H14N4 — CID 115226891

IUPACN'-(3H-benzimidazol-5-ylmethyl)-N-methylmethanediamine
SMILESCNCNCc1ccc2nc[nH]c2c1
InChIInChI=1S/C10H14N4/c1-11-6-12-5-8-2-3-9-10(4-8)14-7-13-9/h2-4,7,11-12H,5-6H2,1H3,(H,13,14)
InChIKeyGHYIEJTVLSDHCH-UHFFFAOYSA-N
MW190.25 g/mol
LogP0.83
Rot. Bonds4

About N'-(3H-benzimidazol-5-ylmethyl)-N-methylmethanediamine

N'-(3H-benzimidazol-5-ylmethyl)-N-methylmethanediamine (PubChem CID 115226891) has the molecular formula C10H14N4 and a molecular weight of 190.25 g/mol. Its IUPAC name is N'-(3H-benzimidazol-5-ylmethyl)-N-methylmethanediamine.

Molecular Properties

Compound NameN'-(3H-benzimidazol-5-ylmethyl)-N-methylmethanediamine
PubChem CID115226891
Molecular FormulaC10H14N4
Molecular Weight190.25 g/mol
Exact Mass190.12
IUPAC NameN'-(3H-benzimidazol-5-ylmethyl)-N-methylmethanediamine
SMILESCNCNCc1ccc2nc[nH]c2c1
InChIInChI=1S/C10H14N4/c1-11-6-12-5-8-2-3-9-10(4-8)14-7-13-9/h2-4,7,11-12H,5-6H2,1H3,(H,13,14)
InChIKeyGHYIEJTVLSDHCH-UHFFFAOYSA-N
XLogP0.83
TPSA52.74 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.25
LogP ≤ 50.83
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(3H-benzimidazol-5-ylmethylamino)methanethiol
CID 115227972
2-(3H-benzimidazol-5-ylmethylamino)acetonitrile
CID 115131027
1-(3H-benzimidazol-5-yl)-N-[[1-(methylaminomethyl)cyclobutyl]methyl]methanamine
CID 115246193
[4-[(3H-benzimidazol-5-ylmethylamino)methyl]phenyl]methanamine
CID 115213218
2-(3H-benzimidazol-5-ylmethylamino)ethanethiol
CID 115223998
1-(3H-benzimidazol-5-yl)-N-(pyridin-2-ylmethyl)methanamine
CID 141086275
ethyl 2-(3H-benzimidazol-5-ylmethylamino)acetate
CID 115257391
N-(3H-benzimidazol-5-ylmethyl)carbamoyl chloride
CID 115194686
6-(2,2-dimethylpropyl)-1H-benzimidazole
CID 58236536
methyl 2-(3H-benzimidazol-5-ylmethylamino)-2-oxoacetate
CID 115142411
1-(3H-benzimidazol-5-ylmethyl)-3-tert-butylurea
CID 110775445
2-amino-N-(3H-benzimidazol-5-ylmethyl)acetamide
CID 82491860

Frequently Asked Questions

What is the IUPAC name of N'-(3H-benzimidazol-5-ylmethyl)-N-methylmethanediamine?
The IUPAC name of N'-(3H-benzimidazol-5-ylmethyl)-N-methylmethanediamine (CID 115226891) is N'-(3H-benzimidazol-5-ylmethyl)-N-methylmethanediamine.
What is the SMILES notation for N'-(3H-benzimidazol-5-ylmethyl)-N-methylmethanediamine?
The canonical SMILES for N'-(3H-benzimidazol-5-ylmethyl)-N-methylmethanediamine is CNCNCc1ccc2nc[nH]c2c1.
What is the InChIKey of N'-(3H-benzimidazol-5-ylmethyl)-N-methylmethanediamine?
The InChIKey is GHYIEJTVLSDHCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N4/c1-11-6-12-5-8-2-3-9-10(4-8)14-7-13-9/h2-4,7,11-12H,5-6H2,1H3,(H,13,14).
What are the key properties of N'-(3H-benzimidazol-5-ylmethyl)-N-methylmethanediamine?
N'-(3H-benzimidazol-5-ylmethyl)-N-methylmethanediamine has a molecular weight of 190.25 g/mol, XLogP of 0.83, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(3H-benzimidazol-5-ylmethyl)-N-methylmethanediamine is sourced from PubChem (CID 115226891), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).