N'-(1H-benzimidazol-2-ylmethyl)ethane-1,2-diamine

C10H14N4 — CID 15365342

IUPACN'-(1H-benzimidazol-2-ylmethyl)ethane-1,2-diamine
SMILESNCCNCc1nc2ccccc2[nH]1
InChIInChI=1S/C10H14N4/c11-5-6-12-7-10-13-8-3-1-2-4-9(8)14-10/h1-4,12H,5-7,11H2,(H,13,14)
InChIKeyGAFURNQZXPTIJY-UHFFFAOYSA-N
MW190.25 g/mol
LogP0.61
Rot. Bonds4

About N'-(1H-benzimidazol-2-ylmethyl)ethane-1,2-diamine

N'-(1H-benzimidazol-2-ylmethyl)ethane-1,2-diamine (PubChem CID 15365342) has the molecular formula C10H14N4 and a molecular weight of 190.25 g/mol. Its IUPAC name is N'-(1H-benzimidazol-2-ylmethyl)ethane-1,2-diamine.

Molecular Properties

Compound NameN'-(1H-benzimidazol-2-ylmethyl)ethane-1,2-diamine
PubChem CID15365342
Molecular FormulaC10H14N4
Molecular Weight190.25 g/mol
Exact Mass190.12
IUPAC NameN'-(1H-benzimidazol-2-ylmethyl)ethane-1,2-diamine
SMILESNCCNCc1nc2ccccc2[nH]1
InChIInChI=1S/C10H14N4/c11-5-6-12-7-10-13-8-3-1-2-4-9(8)14-10/h1-4,12H,5-7,11H2,(H,13,14)
InChIKeyGAFURNQZXPTIJY-UHFFFAOYSA-N
XLogP0.61
TPSA66.73 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 ≤ 50.61
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-(1H-benzimidazol-2-ylmethyl)-3-methoxypropan-1-amine
CID 83961851
N'-[3-(1H-benzimidazol-2-yl)propyl]propane-1,3-diamine
CID 83961805
N-[4-(1H-benzimidazol-2-ylmethylamino)butyl]acetamide
CID 126714287
N-(1H-benzimidazol-2-ylmethyl)-1-(2,6-difluorophenyl)methanamine
CID 78911282
N'-[6-[3-(1H-benzimidazol-2-yl)propylamino]hexyl]hexane-1,6-diamine;methane;tetrahydrofluoride
CID 159780973
3-(1H-benzimidazol-2-ylmethylsulfanyl)propan-1-amine
CID 66220038
1H-benzimidazol-2-ylmethanamine;hydrate
CID 23192500
2-(1H-benzimidazol-2-ylmethylamino)acetic acid
CID 1081236
N-(1H-benzimidazol-2-ylmethyl)-1-cyclopropylmethanamine
CID 43655401
2-N-(1H-benzimidazol-2-ylmethyl)propane-1,2-diamine
CID 103389827
3-(1H-benzimidazol-2-yl)-N-[(4-phenylphenyl)methyl]propan-1-amine
CID 66528584
1-(1H-benzimidazol-2-yl)-N-methylmethanamine;dihydrochloride
CID 13169407

Frequently Asked Questions

What is the IUPAC name of N'-(1H-benzimidazol-2-ylmethyl)ethane-1,2-diamine?
The IUPAC name of N'-(1H-benzimidazol-2-ylmethyl)ethane-1,2-diamine (CID 15365342) is N'-(1H-benzimidazol-2-ylmethyl)ethane-1,2-diamine.
What is the SMILES notation for N'-(1H-benzimidazol-2-ylmethyl)ethane-1,2-diamine?
The canonical SMILES for N'-(1H-benzimidazol-2-ylmethyl)ethane-1,2-diamine is NCCNCc1nc2ccccc2[nH]1.
What is the InChIKey of N'-(1H-benzimidazol-2-ylmethyl)ethane-1,2-diamine?
The InChIKey is GAFURNQZXPTIJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N4/c11-5-6-12-7-10-13-8-3-1-2-4-9(8)14-10/h1-4,12H,5-7,11H2,(H,13,14).
What are the key properties of N'-(1H-benzimidazol-2-ylmethyl)ethane-1,2-diamine?
N'-(1H-benzimidazol-2-ylmethyl)ethane-1,2-diamine has a molecular weight of 190.25 g/mol, XLogP of 0.61, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(1H-benzimidazol-2-ylmethyl)ethane-1,2-diamine is sourced from PubChem (CID 15365342), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).