6-N-[2-(4-phenylpiperazin-1-yl)ethyl]-6-N-propyl-2,3,5,6,7,8-hexahydro-1H-benzo[f]benzimidazole-2,6-diamine

C26H38N6 — CID 73347394

IUPAC6-N-[2-(4-phenylpiperazin-1-yl)ethyl]-6-N-propyl-2,3,5,6,7,8-hexahydro-1H-benzo[f]benzimidazole-2,6-diamine
SMILESCCCN(CCN1CCN(c2ccccc2)CC1)C1CCc2cc3c(cc2C1)NC(N)N3
InChIInChI=1S/C26H38N6/c1-2-10-31(14-11-30-12-15-32(16-13-30)22-6-4-3-5-7-22)23-9-8-20-18-24-25(19-21(20)17-23)29-26(27)28-24/h3-7,18-19,23,26,28-29H,2,8-17,27H2,1H3
InChIKeyGJWNNHQBSQJALA-UHFFFAOYSA-N
MW434.63 g/mol
LogP3.16
Rot. Bonds7

About 6-N-[2-(4-phenylpiperazin-1-yl)ethyl]-6-N-propyl-2,3,5,6,7,8-hexahydro-1H-benzo[f]benzimidazole-2,6-diamine

6-N-[2-(4-phenylpiperazin-1-yl)ethyl]-6-N-propyl-2,3,5,6,7,8-hexahydro-1H-benzo[f]benzimidazole-2,6-diamine (PubChem CID 73347394) has the molecular formula C26H38N6 and a molecular weight of 434.63 g/mol. Its IUPAC name is 6-N-[2-(4-phenylpiperazin-1-yl)ethyl]-6-N-propyl-2,3,5,6,7,8-hexahydro-1H-benzo[f]benzimidazole-2,6-diamine.

Molecular Properties

Compound Name6-N-[2-(4-phenylpiperazin-1-yl)ethyl]-6-N-propyl-2,3,5,6,7,8-hexahydro-1H-benzo[f]benzimidazole-2,6-diamine
PubChem CID73347394
Molecular FormulaC26H38N6
Molecular Weight434.63 g/mol
Exact Mass434.32
IUPAC Name6-N-[2-(4-phenylpiperazin-1-yl)ethyl]-6-N-propyl-2,3,5,6,7,8-hexahydro-1H-benzo[f]benzimidazole-2,6-diamine
SMILESCCCN(CCN1CCN(c2ccccc2)CC1)C1CCc2cc3c(cc2C1)NC(N)N3
InChIInChI=1S/C26H38N6/c1-2-10-31(14-11-30-12-15-32(16-13-30)22-6-4-3-5-7-22)23-9-8-20-18-24-25(19-21(20)17-23)29-26(27)28-24/h3-7,18-19,23,26,28-29H,2,8-17,27H2,1H3
InChIKeyGJWNNHQBSQJALA-UHFFFAOYSA-N
XLogP3.16
TPSA59.80 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500434.63
LogP ≤ 53.16
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Analyze 6-N-[2-(4-phenylpiperazin-1-yl)ethyl]-6-N-propyl-2,3,5,6,7,8-hexahydro-1H-benzo[f]benzimidazole-2,6-diamine with MolForge

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Frequently Asked Questions

What is the IUPAC name of 6-N-[2-(4-phenylpiperazin-1-yl)ethyl]-6-N-propyl-2,3,5,6,7,8-hexahydro-1H-benzo[f]benzimidazole-2,6-diamine?
The IUPAC name of 6-N-[2-(4-phenylpiperazin-1-yl)ethyl]-6-N-propyl-2,3,5,6,7,8-hexahydro-1H-benzo[f]benzimidazole-2,6-diamine (CID 73347394) is 6-N-[2-(4-phenylpiperazin-1-yl)ethyl]-6-N-propyl-2,3,5,6,7,8-hexahydro-1H-benzo[f]benzimidazole-2,6-diamine.
What is the SMILES notation for 6-N-[2-(4-phenylpiperazin-1-yl)ethyl]-6-N-propyl-2,3,5,6,7,8-hexahydro-1H-benzo[f]benzimidazole-2,6-diamine?
The canonical SMILES for 6-N-[2-(4-phenylpiperazin-1-yl)ethyl]-6-N-propyl-2,3,5,6,7,8-hexahydro-1H-benzo[f]benzimidazole-2,6-diamine is CCCN(CCN1CCN(c2ccccc2)CC1)C1CCc2cc3c(cc2C1)NC(N)N3.
What is the InChIKey of 6-N-[2-(4-phenylpiperazin-1-yl)ethyl]-6-N-propyl-2,3,5,6,7,8-hexahydro-1H-benzo[f]benzimidazole-2,6-diamine?
The InChIKey is GJWNNHQBSQJALA-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H38N6/c1-2-10-31(14-11-30-12-15-32(16-13-30)22-6-4-3-5-7-22)23-9-8-20-18-24-25(19-21(20)17-23)29-26(27)28-24/h3-7,18-19,23,26,28-29H,2,8-17,27H2,1H3.
What are the key properties of 6-N-[2-(4-phenylpiperazin-1-yl)ethyl]-6-N-propyl-2,3,5,6,7,8-hexahydro-1H-benzo[f]benzimidazole-2,6-diamine?
6-N-[2-(4-phenylpiperazin-1-yl)ethyl]-6-N-propyl-2,3,5,6,7,8-hexahydro-1H-benzo[f]benzimidazole-2,6-diamine has a molecular weight of 434.63 g/mol, XLogP of 3.16, 7 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-N-[2-(4-phenylpiperazin-1-yl)ethyl]-6-N-propyl-2,3,5,6,7,8-hexahydro-1H-benzo[f]benzimidazole-2,6-diamine is sourced from PubChem (CID 73347394), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).