N'-[2-(3H-benzimidazol-5-yl)ethyl]-2-propan-2-ylpropane-1,3-diamine

C15H24N4 — CID 115252579

IUPACN'-[2-(3H-benzimidazol-5-yl)ethyl]-2-propan-2-ylpropane-1,3-diamine
SMILESCC(C)C(CN)CNCCc1ccc2nc[nH]c2c1
InChIInChI=1S/C15H24N4/c1-11(2)13(8-16)9-17-6-5-12-3-4-14-15(7-12)19-10-18-14/h3-4,7,10-11,13,17H,5-6,8-9,16H2,1-2H3,(H,18,19)
InChIKeyDLNPGFPLVOJAMH-UHFFFAOYSA-N
MW260.38 g/mol
LogP1.93
Rot. Bonds7

About N'-[2-(3H-benzimidazol-5-yl)ethyl]-2-propan-2-ylpropane-1,3-diamine

N'-[2-(3H-benzimidazol-5-yl)ethyl]-2-propan-2-ylpropane-1,3-diamine (PubChem CID 115252579) has the molecular formula C15H24N4 and a molecular weight of 260.38 g/mol. Its IUPAC name is N'-[2-(3H-benzimidazol-5-yl)ethyl]-2-propan-2-ylpropane-1,3-diamine.

Molecular Properties

Compound NameN'-[2-(3H-benzimidazol-5-yl)ethyl]-2-propan-2-ylpropane-1,3-diamine
PubChem CID115252579
Molecular FormulaC15H24N4
Molecular Weight260.38 g/mol
Exact Mass260.20
IUPAC NameN'-[2-(3H-benzimidazol-5-yl)ethyl]-2-propan-2-ylpropane-1,3-diamine
SMILESCC(C)C(CN)CNCCc1ccc2nc[nH]c2c1
InChIInChI=1S/C15H24N4/c1-11(2)13(8-16)9-17-6-5-12-3-4-14-15(7-12)19-10-18-14/h3-4,7,10-11,13,17H,5-6,8-9,16H2,1-2H3,(H,18,19)
InChIKeyDLNPGFPLVOJAMH-UHFFFAOYSA-N
XLogP1.93
TPSA66.73 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.38
LogP ≤ 51.93
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

3-[2-(3H-benzimidazol-5-yl)ethylamino]-2-methylpropanoic acid
CID 115219571
1-N-[2-(3H-benzimidazol-5-yl)ethyl]-2-methylpropane-1,2-diamine
CID 115136178
1-N-[2-(3H-benzimidazol-5-yl)ethyl]-4-methylpentane-1,4-diamine
CID 115205454
2-N-[2-(3H-benzimidazol-5-yl)ethyl]-2-methylpropane-1,2-diamine
CID 115132184
6-(3-methylbutyl)-1H-benzimidazole
CID 58439474
5-(3H-benzimidazol-5-yl)pentan-2-amine
CID 116925069
6-(2-fluoroethyl)-1H-benzimidazole
CID 139795437
2-(3H-benzimidazol-5-yl)-N-(piperazin-1-ylmethyl)ethanamine
CID 115230151
10-(3H-benzimidazol-5-yl)decan-1-amine
CID 150986948
N'-[2-(3H-benzimidazol-5-yl)ethyl]-N',2-dimethylbutane-1,4-diamine
CID 115203481
2-N-(3H-benzimidazol-5-ylmethyl)-2-N-methylpropane-1,2-diamine
CID 117040046
3-N-[2-(3H-benzimidazol-5-yl)ethyl]-3-N-methylpropane-1,2,3-triamine
CID 115120132

Frequently Asked Questions

What is the IUPAC name of N'-[2-(3H-benzimidazol-5-yl)ethyl]-2-propan-2-ylpropane-1,3-diamine?
The IUPAC name of N'-[2-(3H-benzimidazol-5-yl)ethyl]-2-propan-2-ylpropane-1,3-diamine (CID 115252579) is N'-[2-(3H-benzimidazol-5-yl)ethyl]-2-propan-2-ylpropane-1,3-diamine.
What is the SMILES notation for N'-[2-(3H-benzimidazol-5-yl)ethyl]-2-propan-2-ylpropane-1,3-diamine?
The canonical SMILES for N'-[2-(3H-benzimidazol-5-yl)ethyl]-2-propan-2-ylpropane-1,3-diamine is CC(C)C(CN)CNCCc1ccc2nc[nH]c2c1.
What is the InChIKey of N'-[2-(3H-benzimidazol-5-yl)ethyl]-2-propan-2-ylpropane-1,3-diamine?
The InChIKey is DLNPGFPLVOJAMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N4/c1-11(2)13(8-16)9-17-6-5-12-3-4-14-15(7-12)19-10-18-14/h3-4,7,10-11,13,17H,5-6,8-9,16H2,1-2H3,(H,18,19).
What are the key properties of N'-[2-(3H-benzimidazol-5-yl)ethyl]-2-propan-2-ylpropane-1,3-diamine?
N'-[2-(3H-benzimidazol-5-yl)ethyl]-2-propan-2-ylpropane-1,3-diamine has a molecular weight of 260.38 g/mol, XLogP of 1.93, 7 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[2-(3H-benzimidazol-5-yl)ethyl]-2-propan-2-ylpropane-1,3-diamine is sourced from PubChem (CID 115252579), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).