N'-(1H-benzimidazol-2-ylmethyl)-N'-(1-pyridin-2-ylethyl)butane-1,4-diamine

C19H25N5 — CID 25177852

IUPACN'-(1H-benzimidazol-2-ylmethyl)-N'-(1-pyridin-2-ylethyl)butane-1,4-diamine
SMILESCC(c1ccccn1)N(CCCCN)Cc1nc2ccccc2[nH]1
InChIInChI=1S/C19H25N5/c1-15(16-8-4-6-12-21-16)24(13-7-5-11-20)14-19-22-17-9-2-3-10-18(17)23-19/h2-4,6,8-10,12,15H,5,7,11,13-14,20H2,1H3,(H,22,23)
InChIKeyOSZUXHNLRBBQOK-UHFFFAOYSA-N
MW323.44 g/mol
LogP3.26
Rot. Bonds8

About N'-(1H-benzimidazol-2-ylmethyl)-N'-(1-pyridin-2-ylethyl)butane-1,4-diamine

N'-(1H-benzimidazol-2-ylmethyl)-N'-(1-pyridin-2-ylethyl)butane-1,4-diamine (PubChem CID 25177852) has the molecular formula C19H25N5 and a molecular weight of 323.44 g/mol. Its IUPAC name is N'-(1H-benzimidazol-2-ylmethyl)-N'-(1-pyridin-2-ylethyl)butane-1,4-diamine.

Molecular Properties

Compound NameN'-(1H-benzimidazol-2-ylmethyl)-N'-(1-pyridin-2-ylethyl)butane-1,4-diamine
PubChem CID25177852
Molecular FormulaC19H25N5
Molecular Weight323.44 g/mol
Exact Mass323.21
IUPAC NameN'-(1H-benzimidazol-2-ylmethyl)-N'-(1-pyridin-2-ylethyl)butane-1,4-diamine
SMILESCC(c1ccccn1)N(CCCCN)Cc1nc2ccccc2[nH]1
InChIInChI=1S/C19H25N5/c1-15(16-8-4-6-12-21-16)24(13-7-5-11-20)14-19-22-17-9-2-3-10-18(17)23-19/h2-4,6,8-10,12,15H,5,7,11,13-14,20H2,1H3,(H,22,23)
InChIKeyOSZUXHNLRBBQOK-UHFFFAOYSA-N
XLogP3.26
TPSA70.83 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.44
LogP ≤ 53.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N'-(1H-benzimidazol-2-ylmethyl)-N'-(1-pyridin-2-ylethyl)butane-1,4-diamine?
The IUPAC name of N'-(1H-benzimidazol-2-ylmethyl)-N'-(1-pyridin-2-ylethyl)butane-1,4-diamine (CID 25177852) is N'-(1H-benzimidazol-2-ylmethyl)-N'-(1-pyridin-2-ylethyl)butane-1,4-diamine.
What is the SMILES notation for N'-(1H-benzimidazol-2-ylmethyl)-N'-(1-pyridin-2-ylethyl)butane-1,4-diamine?
The canonical SMILES for N'-(1H-benzimidazol-2-ylmethyl)-N'-(1-pyridin-2-ylethyl)butane-1,4-diamine is CC(c1ccccn1)N(CCCCN)Cc1nc2ccccc2[nH]1.
What is the InChIKey of N'-(1H-benzimidazol-2-ylmethyl)-N'-(1-pyridin-2-ylethyl)butane-1,4-diamine?
The InChIKey is OSZUXHNLRBBQOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25N5/c1-15(16-8-4-6-12-21-16)24(13-7-5-11-20)14-19-22-17-9-2-3-10-18(17)23-19/h2-4,6,8-10,12,15H,5,7,11,13-14,20H2,1H3,(H,22,23).
What are the key properties of N'-(1H-benzimidazol-2-ylmethyl)-N'-(1-pyridin-2-ylethyl)butane-1,4-diamine?
N'-(1H-benzimidazol-2-ylmethyl)-N'-(1-pyridin-2-ylethyl)butane-1,4-diamine has a molecular weight of 323.44 g/mol, XLogP of 3.26, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(1H-benzimidazol-2-ylmethyl)-N'-(1-pyridin-2-ylethyl)butane-1,4-diamine is sourced from PubChem (CID 25177852), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).