2-N-[5-[(3E)-3-[(5E)-5-ethylidene-3-(4-piperidin-1-yl-1H-benzimidazol-2-yl)-1H-pyrazol-4-ylidene]prop-1-en-2-yl]-3-pyridinyl]-1-N,1-N-dimethylprop-2-ene-1,2-diamine

C30H36N8 — CID 145033285

About 2-N-[5-[(3E)-3-[(5E)-5-ethylidene-3-(4-piperidin-1-yl-1H-benzimidazol-2-yl)-1H-pyrazol-4-ylidene]prop-1-en-2-yl]-3-pyridinyl]-1-N,1-N-dimethylprop-2-ene-1,2-diamine

2-N-[5-[(3E)-3-[(5E)-5-ethylidene-3-(4-piperidin-1-yl-1H-benzimidazol-2-yl)-1H-pyrazol-4-ylidene]prop-1-en-2-yl]-3-pyridinyl]-1-N,1-N-dimethylprop-2-ene-1,2-diamine (PubChem CID 145033285) has the molecular formula C30H36N8 and a molecular weight of 508.67 g/mol. Its IUPAC name is 2-N-[5-[(3E)-3-[(5E)-5-ethylidene-3-(4-piperidin-1-yl-1H-benzimidazol-2-yl)-1H-pyrazol-4-ylidene]prop-1-en-2-yl]-3-pyridinyl]-1-N,1-N-dimethylprop-2-ene-1,2-diamine.

Molecular Properties

• Compound Name: 2-N-[5-[(3E)-3-[(5E)-5-ethylidene-3-(4-piperidin-1-yl-1H-benzimidazol-2-yl)-1H-pyrazol-4-ylidene]prop-1-en-2-yl]-3-pyridinyl]-1-N,1-N-dimethylprop-2-ene-1,2-diamine
• PubChem CID: 145033285
• Molecular Formula: C30H36N8
• Molecular Weight: 508.67 g/mol
• Exact Mass: 508.31
• IUPAC Name: 2-N-[5-[(3E)-3-[(5E)-5-ethylidene-3-(4-piperidin-1-yl-1H-benzimidazol-2-yl)-1H-pyrazol-4-ylidene]prop-1-en-2-yl]-3-pyridinyl]-1-N,1-N-dimethylprop-2-ene-1,2-diamine
• SMILES: C=C(CN(C)C)Nc1cncc(C(=C)/C=c2/c(-c3nc4c(N5CCCCC5)cccc4[nH]3)n[nH]/c2=C/C)c1
• InChI: InChI=1S/C30H36N8/c1-6-25-24(15-20(2)22-16-23(18-31-17-22)32-21(3)19-37(4)5)28(36-35-25)30-33-26-11-10-12-27(29(26)34-30)38-13-8-7-9-14-38/h6,10-12,15-18,32,35H,2-3,7-9,13-14,19H2,1,4-5H3,(H,33,34)/b24-15+,25-6+
• InChIKey: YPRCDUVSFDKAFA-GNWPVCNLSA-N
• XLogP: 4.12
• TPSA: 88.76 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 6
• Rotatable Bonds: 8
• Heavy Atoms: 38
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	508.67
LogP ≤ 5	4.12
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 2-N-[5-[(3E)-3-[(5E)-5-ethylidene-3-(4-piperidin-1-yl-1H-benzimidazol-2-yl)-1H-pyrazol-4-ylidene]prop-1-en-2-yl]-3-pyridinyl]-1-N,1-N-dimethylprop-2-ene-1,2-diamine?

The IUPAC name of 2-N-[5-[(3E)-3-[(5E)-5-ethylidene-3-(4-piperidin-1-yl-1H-benzimidazol-2-yl)-1H-pyrazol-4-ylidene]prop-1-en-2-yl]-3-pyridinyl]-1-N,1-N-dimethylprop-2-ene-1,2-diamine (CID 145033285) is 2-N-[5-[(3E)-3-[(5E)-5-ethylidene-3-(4-piperidin-1-yl-1H-benzimidazol-2-yl)-1H-pyrazol-4-ylidene]prop-1-en-2-yl]-3-pyridinyl]-1-N,1-N-dimethylprop-2-ene-1,2-diamine.

What is the SMILES notation for 2-N-[5-[(3E)-3-[(5E)-5-ethylidene-3-(4-piperidin-1-yl-1H-benzimidazol-2-yl)-1H-pyrazol-4-ylidene]prop-1-en-2-yl]-3-pyridinyl]-1-N,1-N-dimethylprop-2-ene-1,2-diamine?

The canonical SMILES for 2-N-[5-[(3E)-3-[(5E)-5-ethylidene-3-(4-piperidin-1-yl-1H-benzimidazol-2-yl)-1H-pyrazol-4-ylidene]prop-1-en-2-yl]-3-pyridinyl]-1-N,1-N-dimethylprop-2-ene-1,2-diamine is C=C(CN(C)C)Nc1cncc(C(=C)/C=c2/c(-c3nc4c(N5CCCCC5)cccc4[nH]3)n[nH]/c2=C/C)c1.

What is the InChIKey of 2-N-[5-[(3E)-3-[(5E)-5-ethylidene-3-(4-piperidin-1-yl-1H-benzimidazol-2-yl)-1H-pyrazol-4-ylidene]prop-1-en-2-yl]-3-pyridinyl]-1-N,1-N-dimethylprop-2-ene-1,2-diamine?

The InChIKey is YPRCDUVSFDKAFA-GNWPVCNLSA-N. The full InChI is InChI=1S/C30H36N8/c1-6-25-24(15-20(2)22-16-23(18-31-17-22)32-21(3)19-37(4)5)28(36-35-25)30-33-26-11-10-12-27(29(26)34-30)38-13-8-7-9-14-38/h6,10-12,15-18,32,35H,2-3,7-9,13-14,19H2,1,4-5H3,(H,33,34)/b24-15+,25-6+.

What are the key properties of 2-N-[5-[(3E)-3-[(5E)-5-ethylidene-3-(4-piperidin-1-yl-1H-benzimidazol-2-yl)-1H-pyrazol-4-ylidene]prop-1-en-2-yl]-3-pyridinyl]-1-N,1-N-dimethylprop-2-ene-1,2-diamine?

2-N-[5-[(3E)-3-[(5E)-5-ethylidene-3-(4-piperidin-1-yl-1H-benzimidazol-2-yl)-1H-pyrazol-4-ylidene]prop-1-en-2-yl]-3-pyridinyl]-1-N,1-N-dimethylprop-2-ene-1,2-diamine has a molecular weight of 508.67 g/mol, XLogP of 4.12, 8 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 2-N-[5-[(3E)-3-[(5E)-5-ethylidene-3-(4-piperidin-1-yl-1H-benzimidazol-2-yl)-1H-pyrazol-4-ylidene]prop-1-en-2-yl]-3-pyridinyl]-1-N,1-N-dimethylprop-2-ene-1,2-diamine is sourced from PubChem (CID 145033285), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).