N-[5-(1H-benzimidazol-2-yl)-2-pyridinyl]-N',N'-diethylethane-1,2-diamine

C18H23N5 — CID 141029620

IUPACN-[5-(1H-benzimidazol-2-yl)-2-pyridinyl]-N',N'-diethylethane-1,2-diamine
SMILESCCN(CC)CCNc1ccc(-c2nc3ccccc3[nH]2)cn1
InChIInChI=1S/C18H23N5/c1-3-23(4-2)12-11-19-17-10-9-14(13-20-17)18-21-15-7-5-6-8-16(15)22-18/h5-10,13H,3-4,11-12H2,1-2H3,(H,19,20)(H,21,22)
InChIKeyALPROTBGTGKUIH-UHFFFAOYSA-N
MW309.42 g/mol
LogP3.38
Rot. Bonds7

About N-[5-(1H-benzimidazol-2-yl)-2-pyridinyl]-N',N'-diethylethane-1,2-diamine

N-[5-(1H-benzimidazol-2-yl)-2-pyridinyl]-N',N'-diethylethane-1,2-diamine (PubChem CID 141029620) has the molecular formula C18H23N5 and a molecular weight of 309.42 g/mol. Its IUPAC name is N-[5-(1H-benzimidazol-2-yl)-2-pyridinyl]-N',N'-diethylethane-1,2-diamine.

Molecular Properties

Compound NameN-[5-(1H-benzimidazol-2-yl)-2-pyridinyl]-N',N'-diethylethane-1,2-diamine
PubChem CID141029620
Molecular FormulaC18H23N5
Molecular Weight309.42 g/mol
Exact Mass309.20
IUPAC NameN-[5-(1H-benzimidazol-2-yl)-2-pyridinyl]-N',N'-diethylethane-1,2-diamine
SMILESCCN(CC)CCNc1ccc(-c2nc3ccccc3[nH]2)cn1
InChIInChI=1S/C18H23N5/c1-3-23(4-2)12-11-19-17-10-9-14(13-20-17)18-21-15-7-5-6-8-16(15)22-18/h5-10,13H,3-4,11-12H2,1-2H3,(H,19,20)(H,21,22)
InChIKeyALPROTBGTGKUIH-UHFFFAOYSA-N
XLogP3.38
TPSA56.84 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.42
LogP ≤ 53.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[5-(1H-benzimidazol-2-yl)-2-pyridinyl]-N',N'-diethylethane-1,2-diamine?
The IUPAC name of N-[5-(1H-benzimidazol-2-yl)-2-pyridinyl]-N',N'-diethylethane-1,2-diamine (CID 141029620) is N-[5-(1H-benzimidazol-2-yl)-2-pyridinyl]-N',N'-diethylethane-1,2-diamine.
What is the SMILES notation for N-[5-(1H-benzimidazol-2-yl)-2-pyridinyl]-N',N'-diethylethane-1,2-diamine?
The canonical SMILES for N-[5-(1H-benzimidazol-2-yl)-2-pyridinyl]-N',N'-diethylethane-1,2-diamine is CCN(CC)CCNc1ccc(-c2nc3ccccc3[nH]2)cn1.
What is the InChIKey of N-[5-(1H-benzimidazol-2-yl)-2-pyridinyl]-N',N'-diethylethane-1,2-diamine?
The InChIKey is ALPROTBGTGKUIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N5/c1-3-23(4-2)12-11-19-17-10-9-14(13-20-17)18-21-15-7-5-6-8-16(15)22-18/h5-10,13H,3-4,11-12H2,1-2H3,(H,19,20)(H,21,22).
What are the key properties of N-[5-(1H-benzimidazol-2-yl)-2-pyridinyl]-N',N'-diethylethane-1,2-diamine?
N-[5-(1H-benzimidazol-2-yl)-2-pyridinyl]-N',N'-diethylethane-1,2-diamine has a molecular weight of 309.42 g/mol, XLogP of 3.38, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(1H-benzimidazol-2-yl)-2-pyridinyl]-N',N'-diethylethane-1,2-diamine is sourced from PubChem (CID 141029620), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).