N'-(1H-benzimidazol-2-yl)-N-methyl-N'-propylethane-1,2-diamine

C13H20N4 — CID 62588022

IUPACN'-(1H-benzimidazol-2-yl)-N-methyl-N'-propylethane-1,2-diamine
SMILESCCCN(CCNC)c1nc2ccccc2[nH]1
InChIInChI=1S/C13H20N4/c1-3-9-17(10-8-14-2)13-15-11-6-4-5-7-12(11)16-13/h4-7,14H,3,8-10H2,1-2H3,(H,15,16)
InChIKeyOHIDIMJDZRGDIO-UHFFFAOYSA-N
MW232.33 g/mol
LogP2.00
Rot. Bonds6

About N'-(1H-benzimidazol-2-yl)-N-methyl-N'-propylethane-1,2-diamine

N'-(1H-benzimidazol-2-yl)-N-methyl-N'-propylethane-1,2-diamine (PubChem CID 62588022) has the molecular formula C13H20N4 and a molecular weight of 232.33 g/mol. Its IUPAC name is N'-(1H-benzimidazol-2-yl)-N-methyl-N'-propylethane-1,2-diamine.

Molecular Properties

Compound NameN'-(1H-benzimidazol-2-yl)-N-methyl-N'-propylethane-1,2-diamine
PubChem CID62588022
Molecular FormulaC13H20N4
Molecular Weight232.33 g/mol
Exact Mass232.17
IUPAC NameN'-(1H-benzimidazol-2-yl)-N-methyl-N'-propylethane-1,2-diamine
SMILESCCCN(CCNC)c1nc2ccccc2[nH]1
InChIInChI=1S/C13H20N4/c1-3-9-17(10-8-14-2)13-15-11-6-4-5-7-12(11)16-13/h4-7,14H,3,8-10H2,1-2H3,(H,15,16)
InChIKeyOHIDIMJDZRGDIO-UHFFFAOYSA-N
XLogP2.00
TPSA43.95 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.33
LogP ≤ 52.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

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CID 71723451
N,N-dimethyl-1H-benzimidazol-2-amine
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ethane;N-propyl-1H-benzimidazol-2-amine
CID 145154327
2-[1H-benzimidazol-2-yl(propan-2-yl)amino]ethanol
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N-(2-methoxyethyl)-N-methyl-1H-benzimidazol-2-amine
CID 133409792
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CID 13169407
3-(1H-benzimidazol-2-ylsulfanyl)-N-methylpropan-1-amine
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CID 107203344

Frequently Asked Questions

What is the IUPAC name of N'-(1H-benzimidazol-2-yl)-N-methyl-N'-propylethane-1,2-diamine?
The IUPAC name of N'-(1H-benzimidazol-2-yl)-N-methyl-N'-propylethane-1,2-diamine (CID 62588022) is N'-(1H-benzimidazol-2-yl)-N-methyl-N'-propylethane-1,2-diamine.
What is the SMILES notation for N'-(1H-benzimidazol-2-yl)-N-methyl-N'-propylethane-1,2-diamine?
The canonical SMILES for N'-(1H-benzimidazol-2-yl)-N-methyl-N'-propylethane-1,2-diamine is CCCN(CCNC)c1nc2ccccc2[nH]1.
What is the InChIKey of N'-(1H-benzimidazol-2-yl)-N-methyl-N'-propylethane-1,2-diamine?
The InChIKey is OHIDIMJDZRGDIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N4/c1-3-9-17(10-8-14-2)13-15-11-6-4-5-7-12(11)16-13/h4-7,14H,3,8-10H2,1-2H3,(H,15,16).
What are the key properties of N'-(1H-benzimidazol-2-yl)-N-methyl-N'-propylethane-1,2-diamine?
N'-(1H-benzimidazol-2-yl)-N-methyl-N'-propylethane-1,2-diamine has a molecular weight of 232.33 g/mol, XLogP of 2.00, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(1H-benzimidazol-2-yl)-N-methyl-N'-propylethane-1,2-diamine is sourced from PubChem (CID 62588022), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).