N-methyl-N'-[(2-methyl-3H-benzimidazol-5-yl)methyl]ethane-1,2-diamine

C12H18N4 — CID 115195888

IUPACN-methyl-N'-[(2-methyl-3H-benzimidazol-5-yl)methyl]ethane-1,2-diamine
SMILESCNCCNCc1ccc2nc(C)[nH]c2c1
InChIInChI=1S/C12H18N4/c1-9-15-11-4-3-10(7-12(11)16-9)8-14-6-5-13-2/h3-4,7,13-14H,5-6,8H2,1-2H3,(H,15,16)
InChIKeyLCIQNBZLDPLDHF-UHFFFAOYSA-N
MW218.30 g/mol
LogP1.18
Rot. Bonds5

About N-methyl-N'-[(2-methyl-3H-benzimidazol-5-yl)methyl]ethane-1,2-diamine

N-methyl-N'-[(2-methyl-3H-benzimidazol-5-yl)methyl]ethane-1,2-diamine (PubChem CID 115195888) has the molecular formula C12H18N4 and a molecular weight of 218.30 g/mol. Its IUPAC name is N-methyl-N'-[(2-methyl-3H-benzimidazol-5-yl)methyl]ethane-1,2-diamine.

Molecular Properties

Compound NameN-methyl-N'-[(2-methyl-3H-benzimidazol-5-yl)methyl]ethane-1,2-diamine
PubChem CID115195888
Molecular FormulaC12H18N4
Molecular Weight218.30 g/mol
Exact Mass218.15
IUPAC NameN-methyl-N'-[(2-methyl-3H-benzimidazol-5-yl)methyl]ethane-1,2-diamine
SMILESCNCCNCc1ccc2nc(C)[nH]c2c1
InChIInChI=1S/C12H18N4/c1-9-15-11-4-3-10(7-12(11)16-9)8-14-6-5-13-2/h3-4,7,13-14H,5-6,8H2,1-2H3,(H,15,16)
InChIKeyLCIQNBZLDPLDHF-UHFFFAOYSA-N
XLogP1.18
TPSA52.74 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.30
LogP ≤ 51.18
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-(hydrazinylmethyl)-1-(2-methyl-3H-benzimidazol-5-yl)methanamine
CID 115260836
4-[(2-methyl-3H-benzimidazol-5-yl)methylamino]butan-2-one
CID 115235708
N-methyl-4-(2-methyl-3H-benzimidazol-5-yl)butan-1-amine
CID 96671773
2-amino-4-[(2-methyl-3H-benzimidazol-5-yl)methylamino]butanoic acid
CID 115241223
(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
N-[(2-methyl-3H-benzimidazol-5-yl)methyl]-2-[4-(trifluoromethyl)-1,3-thiazol-2-yl]ethanamine
CID 166317023
1-[[(2-methyl-3H-benzimidazol-5-yl)methylamino]methyl]cyclopropane-1-carbonitrile
CID 115242286
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
N'-cyclopropyl-N-[2-(2-methyl-3H-benzimidazol-5-yl)ethyl]ethane-1,2-diamine
CID 115207103
6-(2-bromoethyl)-2-methyl-1H-benzimidazole;ethane
CID 90818369

Frequently Asked Questions

What is the IUPAC name of N-methyl-N'-[(2-methyl-3H-benzimidazol-5-yl)methyl]ethane-1,2-diamine?
The IUPAC name of N-methyl-N'-[(2-methyl-3H-benzimidazol-5-yl)methyl]ethane-1,2-diamine (CID 115195888) is N-methyl-N'-[(2-methyl-3H-benzimidazol-5-yl)methyl]ethane-1,2-diamine.
What is the SMILES notation for N-methyl-N'-[(2-methyl-3H-benzimidazol-5-yl)methyl]ethane-1,2-diamine?
The canonical SMILES for N-methyl-N'-[(2-methyl-3H-benzimidazol-5-yl)methyl]ethane-1,2-diamine is CNCCNCc1ccc2nc(C)[nH]c2c1.
What is the InChIKey of N-methyl-N'-[(2-methyl-3H-benzimidazol-5-yl)methyl]ethane-1,2-diamine?
The InChIKey is LCIQNBZLDPLDHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N4/c1-9-15-11-4-3-10(7-12(11)16-9)8-14-6-5-13-2/h3-4,7,13-14H,5-6,8H2,1-2H3,(H,15,16).
What are the key properties of N-methyl-N'-[(2-methyl-3H-benzimidazol-5-yl)methyl]ethane-1,2-diamine?
N-methyl-N'-[(2-methyl-3H-benzimidazol-5-yl)methyl]ethane-1,2-diamine has a molecular weight of 218.30 g/mol, XLogP of 1.18, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N'-[(2-methyl-3H-benzimidazol-5-yl)methyl]ethane-1,2-diamine is sourced from PubChem (CID 115195888), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).