1-N'-(1-ethylbenzimidazol-2-yl)-1-N,1-N'-dimethylethane-1,1-diamine

C13H20N4 — CID 19876806

IUPAC1-N'-(1-ethylbenzimidazol-2-yl)-1-N,1-N'-dimethylethane-1,1-diamine
SMILESCCn1c(N(C)C(C)NC)nc2ccccc21
InChIInChI=1S/C13H20N4/c1-5-17-12-9-7-6-8-11(12)15-13(17)16(4)10(2)14-3/h6-10,14H,5H2,1-4H3
InChIKeyMUFPDGNZACPTDR-UHFFFAOYSA-N
MW232.33 g/mol
LogP2.06
Rot. Bonds4

About 1-N'-(1-ethylbenzimidazol-2-yl)-1-N,1-N'-dimethylethane-1,1-diamine

1-N'-(1-ethylbenzimidazol-2-yl)-1-N,1-N'-dimethylethane-1,1-diamine (PubChem CID 19876806) has the molecular formula C13H20N4 and a molecular weight of 232.33 g/mol. Its IUPAC name is 1-N'-(1-ethylbenzimidazol-2-yl)-1-N,1-N'-dimethylethane-1,1-diamine.

Molecular Properties

Compound Name1-N'-(1-ethylbenzimidazol-2-yl)-1-N,1-N'-dimethylethane-1,1-diamine
PubChem CID19876806
Molecular FormulaC13H20N4
Molecular Weight232.33 g/mol
Exact Mass232.17
IUPAC Name1-N'-(1-ethylbenzimidazol-2-yl)-1-N,1-N'-dimethylethane-1,1-diamine
SMILESCCn1c(N(C)C(C)NC)nc2ccccc21
InChIInChI=1S/C13H20N4/c1-5-17-12-9-7-6-8-11(12)15-13(17)16(4)10(2)14-3/h6-10,14H,5H2,1-4H3
InChIKeyMUFPDGNZACPTDR-UHFFFAOYSA-N
XLogP2.06
TPSA33.09 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.33
LogP ≤ 52.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

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CID 962427
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1-(1-ethylbenzimidazol-2-yl)propan-2-ol
CID 79753828
1-butan-2-ylsulfanyl-3-(1-ethylbenzimidazol-2-yl)-N-methylpropan-2-amine
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1-ethoxy-3-(1-ethylbenzimidazol-2-yl)-N-methylpropan-2-amine
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2-(1-ethylbenzimidazol-2-yl)acetaldehyde
CID 79753358
(1-ethylbenzimidazol-2-yl)methylhydrazine
CID 53275104
N-[2-(1-ethylbenzimidazol-2-yl)ethyl]-2-methylpropan-1-amine
CID 79750930
2-(1-ethylbenzimidazol-2-yl)-N-methylaniline
CID 43142634
N-[(1-ethylbenzimidazol-2-yl)methyl]-N-methylaniline
CID 2991404
2-(1-ethylbenzimidazol-2-yl)-N-methyl-1-pyridin-2-ylethanamine
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CID 116587001

Frequently Asked Questions

What is the IUPAC name of 1-N'-(1-ethylbenzimidazol-2-yl)-1-N,1-N'-dimethylethane-1,1-diamine?
The IUPAC name of 1-N'-(1-ethylbenzimidazol-2-yl)-1-N,1-N'-dimethylethane-1,1-diamine (CID 19876806) is 1-N'-(1-ethylbenzimidazol-2-yl)-1-N,1-N'-dimethylethane-1,1-diamine.
What is the SMILES notation for 1-N'-(1-ethylbenzimidazol-2-yl)-1-N,1-N'-dimethylethane-1,1-diamine?
The canonical SMILES for 1-N'-(1-ethylbenzimidazol-2-yl)-1-N,1-N'-dimethylethane-1,1-diamine is CCn1c(N(C)C(C)NC)nc2ccccc21.
What is the InChIKey of 1-N'-(1-ethylbenzimidazol-2-yl)-1-N,1-N'-dimethylethane-1,1-diamine?
The InChIKey is MUFPDGNZACPTDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N4/c1-5-17-12-9-7-6-8-11(12)15-13(17)16(4)10(2)14-3/h6-10,14H,5H2,1-4H3.
What are the key properties of 1-N'-(1-ethylbenzimidazol-2-yl)-1-N,1-N'-dimethylethane-1,1-diamine?
1-N'-(1-ethylbenzimidazol-2-yl)-1-N,1-N'-dimethylethane-1,1-diamine has a molecular weight of 232.33 g/mol, XLogP of 2.06, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N'-(1-ethylbenzimidazol-2-yl)-1-N,1-N'-dimethylethane-1,1-diamine is sourced from PubChem (CID 19876806), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).