2-[2-[3-(diethylamino)propylamino]-4-pyridinyl]-1H-benzimidazole-4-carboxamide

C20H26N6O — CID 23432911

IUPAC2-[2-[3-(diethylamino)propylamino]-4-pyridinyl]-1H-benzimidazole-4-carboxamide
SMILESCCN(CC)CCCNc1cc(-c2nc3c(C(N)=O)cccc3[nH]2)ccn1
InChIInChI=1S/C20H26N6O/c1-3-26(4-2)12-6-10-22-17-13-14(9-11-23-17)20-24-16-8-5-7-15(19(21)27)18(16)25-20/h5,7-9,11,13H,3-4,6,10,12H2,1-2H3,(H2,21,27)(H,22,23)(H,24,25)
InChIKeyBFYDQHIMMLWWPU-UHFFFAOYSA-N
MW366.47 g/mol
LogP2.87
Rot. Bonds9

About 2-[2-[3-(diethylamino)propylamino]-4-pyridinyl]-1H-benzimidazole-4-carboxamide

2-[2-[3-(diethylamino)propylamino]-4-pyridinyl]-1H-benzimidazole-4-carboxamide (PubChem CID 23432911) has the molecular formula C20H26N6O and a molecular weight of 366.47 g/mol. Its IUPAC name is 2-[2-[3-(diethylamino)propylamino]-4-pyridinyl]-1H-benzimidazole-4-carboxamide.

Molecular Properties

Compound Name2-[2-[3-(diethylamino)propylamino]-4-pyridinyl]-1H-benzimidazole-4-carboxamide
PubChem CID23432911
Molecular FormulaC20H26N6O
Molecular Weight366.47 g/mol
Exact Mass366.22
IUPAC Name2-[2-[3-(diethylamino)propylamino]-4-pyridinyl]-1H-benzimidazole-4-carboxamide
SMILESCCN(CC)CCCNc1cc(-c2nc3c(C(N)=O)cccc3[nH]2)ccn1
InChIInChI=1S/C20H26N6O/c1-3-26(4-2)12-6-10-22-17-13-14(9-11-23-17)20-24-16-8-5-7-15(19(21)27)18(16)25-20/h5,7-9,11,13H,3-4,6,10,12H2,1-2H3,(H2,21,27)(H,22,23)(H,24,25)
InChIKeyBFYDQHIMMLWWPU-UHFFFAOYSA-N
XLogP2.87
TPSA99.93 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.47
LogP ≤ 52.87
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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 2-[2-[3-(diethylamino)propylamino]-4-pyridinyl]-1H-benzimidazole-4-carboxamide?
The IUPAC name of 2-[2-[3-(diethylamino)propylamino]-4-pyridinyl]-1H-benzimidazole-4-carboxamide (CID 23432911) is 2-[2-[3-(diethylamino)propylamino]-4-pyridinyl]-1H-benzimidazole-4-carboxamide.
What is the SMILES notation for 2-[2-[3-(diethylamino)propylamino]-4-pyridinyl]-1H-benzimidazole-4-carboxamide?
The canonical SMILES for 2-[2-[3-(diethylamino)propylamino]-4-pyridinyl]-1H-benzimidazole-4-carboxamide is CCN(CC)CCCNc1cc(-c2nc3c(C(N)=O)cccc3[nH]2)ccn1.
What is the InChIKey of 2-[2-[3-(diethylamino)propylamino]-4-pyridinyl]-1H-benzimidazole-4-carboxamide?
The InChIKey is BFYDQHIMMLWWPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N6O/c1-3-26(4-2)12-6-10-22-17-13-14(9-11-23-17)20-24-16-8-5-7-15(19(21)27)18(16)25-20/h5,7-9,11,13H,3-4,6,10,12H2,1-2H3,(H2,21,27)(H,22,23)(H,24,25).
What are the key properties of 2-[2-[3-(diethylamino)propylamino]-4-pyridinyl]-1H-benzimidazole-4-carboxamide?
2-[2-[3-(diethylamino)propylamino]-4-pyridinyl]-1H-benzimidazole-4-carboxamide has a molecular weight of 366.47 g/mol, XLogP of 2.87, 9 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[3-(diethylamino)propylamino]-4-pyridinyl]-1H-benzimidazole-4-carboxamide is sourced from PubChem (CID 23432911), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).