N'-(3H-benzimidazol-5-ylmethyl)-N'-ethylethane-1,2-diamine

C12H18N4 — CID 103102145

IUPACN'-(3H-benzimidazol-5-ylmethyl)-N'-ethylethane-1,2-diamine
SMILESCCN(CCN)Cc1ccc2nc[nH]c2c1
InChIInChI=1S/C12H18N4/c1-2-16(6-5-13)8-10-3-4-11-12(7-10)15-9-14-11/h3-4,7,9H,2,5-6,8,13H2,1H3,(H,14,15)
InChIKeyHZCYTRBFSIRCDX-UHFFFAOYSA-N
MW218.30 g/mol
LogP1.34
Rot. Bonds5

About N'-(3H-benzimidazol-5-ylmethyl)-N'-ethylethane-1,2-diamine

N'-(3H-benzimidazol-5-ylmethyl)-N'-ethylethane-1,2-diamine (PubChem CID 103102145) has the molecular formula C12H18N4 and a molecular weight of 218.30 g/mol. Its IUPAC name is N'-(3H-benzimidazol-5-ylmethyl)-N'-ethylethane-1,2-diamine.

Molecular Properties

Compound NameN'-(3H-benzimidazol-5-ylmethyl)-N'-ethylethane-1,2-diamine
PubChem CID103102145
Molecular FormulaC12H18N4
Molecular Weight218.30 g/mol
Exact Mass218.15
IUPAC NameN'-(3H-benzimidazol-5-ylmethyl)-N'-ethylethane-1,2-diamine
SMILESCCN(CCN)Cc1ccc2nc[nH]c2c1
InChIInChI=1S/C12H18N4/c1-2-16(6-5-13)8-10-3-4-11-12(7-10)15-9-14-11/h3-4,7,9H,2,5-6,8,13H2,1H3,(H,14,15)
InChIKeyHZCYTRBFSIRCDX-UHFFFAOYSA-N
XLogP1.34
TPSA57.94 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.30
LogP ≤ 51.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N'-(3H-benzimidazol-5-ylmethyl)-N'-methylbutane-1,4-diamine
CID 115201335
2-N-(3H-benzimidazol-5-ylmethyl)-2-N-methylpropane-1,2-diamine
CID 117040046
N'-ethyl-N'-(1H-indol-6-ylmethyl)ethane-1,2-diamine
CID 103102150
N'-ethyl-N'-[(2-methylquinolin-6-yl)methyl]ethane-1,2-diamine
CID 114231068
N-(3H-benzimidazol-5-ylmethyl)-N-methylpropan-2-amine
CID 117044066
6-(2-fluoroethyl)-1H-benzimidazole
CID 139795437
3-[3H-benzimidazol-5-ylmethyl(methyl)amino]propanoic acid
CID 115218303
4-amino-1-[3H-benzimidazol-5-ylmethyl(methyl)amino]butan-2-ol
CID 117039239
10-(3H-benzimidazol-5-yl)decan-1-amine
CID 150986948
4-[3H-benzimidazol-5-ylmethyl(methyl)amino]butan-1-ol
CID 115217708
3-[3H-benzimidazol-5-ylmethyl(methyl)amino]propanenitrile
CID 115231013
methyl 3-[3H-benzimidazol-5-ylmethyl(methyl)amino]propanoate
CID 115232458

Frequently Asked Questions

What is the IUPAC name of N'-(3H-benzimidazol-5-ylmethyl)-N'-ethylethane-1,2-diamine?
The IUPAC name of N'-(3H-benzimidazol-5-ylmethyl)-N'-ethylethane-1,2-diamine (CID 103102145) is N'-(3H-benzimidazol-5-ylmethyl)-N'-ethylethane-1,2-diamine.
What is the SMILES notation for N'-(3H-benzimidazol-5-ylmethyl)-N'-ethylethane-1,2-diamine?
The canonical SMILES for N'-(3H-benzimidazol-5-ylmethyl)-N'-ethylethane-1,2-diamine is CCN(CCN)Cc1ccc2nc[nH]c2c1.
What is the InChIKey of N'-(3H-benzimidazol-5-ylmethyl)-N'-ethylethane-1,2-diamine?
The InChIKey is HZCYTRBFSIRCDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N4/c1-2-16(6-5-13)8-10-3-4-11-12(7-10)15-9-14-11/h3-4,7,9H,2,5-6,8,13H2,1H3,(H,14,15).
What are the key properties of N'-(3H-benzimidazol-5-ylmethyl)-N'-ethylethane-1,2-diamine?
N'-(3H-benzimidazol-5-ylmethyl)-N'-ethylethane-1,2-diamine has a molecular weight of 218.30 g/mol, XLogP of 1.34, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(3H-benzimidazol-5-ylmethyl)-N'-ethylethane-1,2-diamine is sourced from PubChem (CID 103102145), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).