N'-(1,7-dimethylbenzimidazol-2-yl)ethane-1,2-diamine

C11H16N4 — CID 83832601

IUPACN'-(1,7-dimethylbenzimidazol-2-yl)ethane-1,2-diamine
SMILESCc1cccc2nc(NCCN)n(C)c12
InChIInChI=1S/C11H16N4/c1-8-4-3-5-9-10(8)15(2)11(14-9)13-7-6-12/h3-5H,6-7,12H2,1-2H3,(H,13,14)
InChIKeyPGNXMXOARSDAFW-UHFFFAOYSA-N
MW204.28 g/mol
LogP1.25
Rot. Bonds3

About N'-(1,7-dimethylbenzimidazol-2-yl)ethane-1,2-diamine

N'-(1,7-dimethylbenzimidazol-2-yl)ethane-1,2-diamine (PubChem CID 83832601) has the molecular formula C11H16N4 and a molecular weight of 204.28 g/mol. Its IUPAC name is N'-(1,7-dimethylbenzimidazol-2-yl)ethane-1,2-diamine.

Molecular Properties

Compound NameN'-(1,7-dimethylbenzimidazol-2-yl)ethane-1,2-diamine
PubChem CID83832601
Molecular FormulaC11H16N4
Molecular Weight204.28 g/mol
Exact Mass204.14
IUPAC NameN'-(1,7-dimethylbenzimidazol-2-yl)ethane-1,2-diamine
SMILESCc1cccc2nc(NCCN)n(C)c12
InChIInChI=1S/C11H16N4/c1-8-4-3-5-9-10(8)15(2)11(14-9)13-7-6-12/h3-5H,6-7,12H2,1-2H3,(H,13,14)
InChIKeyPGNXMXOARSDAFW-UHFFFAOYSA-N
XLogP1.25
TPSA55.87 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.28
LogP ≤ 51.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-N-(1,7-dimethylbenzimidazol-2-yl)propane-1,2-diamine
CID 83836744
1,7-dimethylbenzimidazol-2-amine;ethane
CID 170767427
1-N-(7-fluoro-1-methylbenzimidazol-2-yl)propane-1,2-diamine
CID 83838714
2-(1,7-dimethylbenzimidazol-2-yl)butan-2-amine
CID 81456064
4-[(1,7-dimethylbenzimidazol-2-yl)methyl]aniline
CID 81454969
2-[(7-fluoro-1-methylbenzimidazol-2-yl)amino]acetic acid
CID 83838990
N-[(1,7-dimethylbenzimidazol-2-yl)methyl]ethanamine
CID 81455738
N'-(4,5,6,7-tetrabromo-1-methylbenzimidazol-2-yl)ethane-1,2-diamine
CID 52934640
[4-(1,7-dimethylbenzimidazol-2-yl)-1,3-thiazol-2-yl]methanamine
CID 81456378
ethyl 2-(1,7-dimethylbenzimidazol-2-yl)-2-methylpropanoate
CID 81455583
3-(1,7-dimethylbenzimidazol-2-yl)-2-methylaniline
CID 81456663
3-(1,7-dimethylbenzimidazol-2-yl)phenol
CID 81455442

Frequently Asked Questions

What is the IUPAC name of N'-(1,7-dimethylbenzimidazol-2-yl)ethane-1,2-diamine?
The IUPAC name of N'-(1,7-dimethylbenzimidazol-2-yl)ethane-1,2-diamine (CID 83832601) is N'-(1,7-dimethylbenzimidazol-2-yl)ethane-1,2-diamine.
What is the SMILES notation for N'-(1,7-dimethylbenzimidazol-2-yl)ethane-1,2-diamine?
The canonical SMILES for N'-(1,7-dimethylbenzimidazol-2-yl)ethane-1,2-diamine is Cc1cccc2nc(NCCN)n(C)c12.
What is the InChIKey of N'-(1,7-dimethylbenzimidazol-2-yl)ethane-1,2-diamine?
The InChIKey is PGNXMXOARSDAFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N4/c1-8-4-3-5-9-10(8)15(2)11(14-9)13-7-6-12/h3-5H,6-7,12H2,1-2H3,(H,13,14).
What are the key properties of N'-(1,7-dimethylbenzimidazol-2-yl)ethane-1,2-diamine?
N'-(1,7-dimethylbenzimidazol-2-yl)ethane-1,2-diamine has a molecular weight of 204.28 g/mol, XLogP of 1.25, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(1,7-dimethylbenzimidazol-2-yl)ethane-1,2-diamine is sourced from PubChem (CID 83832601), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).