ethane;1-N-[5-[4-(3-fluorophenyl)-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]-1-N',1-N'-dipropylethene-1,1-diamine

C26H33FN6 — CID 154654478

IUPACethane;1-N-[5-[4-(3-fluorophenyl)-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]-1-N',1-N'-dipropylethene-1,1-diamine
SMILESC=C(Nc1cn[nH]c1-c1nc2c(-c3cccc(F)c3)cccc2[nH]1)N(CCC)CCC.CC
InChIInChI=1S/C24H27FN6.C2H6/c1-4-12-31(13-5-2)16(3)27-21-15-26-30-23(21)24-28-20-11-7-10-19(22(20)29-24)17-8-6-9-18(25)14-17;1-2/h6-11,14-15,27H,3-5,12-13H2,1-2H3,(H,26,30)(H,28,29);1-2H3
InChIKeyHOOPNOBRPHUKGN-UHFFFAOYSA-N
MW448.59 g/mol
LogP6.79
Rot. Bonds9

About ethane;1-N-[5-[4-(3-fluorophenyl)-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]-1-N',1-N'-dipropylethene-1,1-diamine

ethane;1-N-[5-[4-(3-fluorophenyl)-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]-1-N',1-N'-dipropylethene-1,1-diamine (PubChem CID 154654478) has the molecular formula C26H33FN6 and a molecular weight of 448.59 g/mol. Its IUPAC name is ethane;1-N-[5-[4-(3-fluorophenyl)-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]-1-N',1-N'-dipropylethene-1,1-diamine.

Molecular Properties

Compound Nameethane;1-N-[5-[4-(3-fluorophenyl)-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]-1-N',1-N'-dipropylethene-1,1-diamine
PubChem CID154654478
Molecular FormulaC26H33FN6
Molecular Weight448.59 g/mol
Exact Mass448.28
IUPAC Nameethane;1-N-[5-[4-(3-fluorophenyl)-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]-1-N',1-N'-dipropylethene-1,1-diamine
SMILESC=C(Nc1cn[nH]c1-c1nc2c(-c3cccc(F)c3)cccc2[nH]1)N(CCC)CCC.CC
InChIInChI=1S/C24H27FN6.C2H6/c1-4-12-31(13-5-2)16(3)27-21-15-26-30-23(21)24-28-20-11-7-10-19(22(20)29-24)17-8-6-9-18(25)14-17;1-2/h6-11,14-15,27H,3-5,12-13H2,1-2H3,(H,26,30)(H,28,29);1-2H3
InChIKeyHOOPNOBRPHUKGN-UHFFFAOYSA-N
XLogP6.79
TPSA72.63 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500448.59
LogP ≤ 56.79
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze ethane;1-N-[5-[4-(3-fluorophenyl)-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]-1-N',1-N'-dipropylethene-1,1-diamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[1-[5-[4-(3-fluorophenyl)-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]ethenyl]pyridin-3-amine
CID 154654638
4-(3-fluorophenyl)-2-(4-prop-1-en-2-yl-1H-pyrazol-5-yl)-1H-benzimidazole;3-methylpyridine
CID 154654255
4-(3-fluorophenyl)-2-[4-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]-1H-pyrazol-5-yl]-1H-benzimidazole
CID 154654111
4-(3-fluorophenyl)-2-methyl-1H-benzimidazole
CID 70914004
N-[5-[4-fluoro-3-[4-(3-fluorophenyl)-1H-benzimidazol-2-yl]-1H-pyrazolo[3,4-c]pyridin-5-yl]-3-pyridinyl]butanamide
CID 136942470
3-[4-(3-fluorophenyl)-1H-benzimidazol-2-yl]-5-(1,2,3,6-tetrahydropyridin-4-yl)-2H-pyrazolo[3,4-b]pyridine
CID 145038274
N-[[5-[4-fluoro-3-[4-(3-fluorophenyl)-1H-benzimidazol-2-yl]-1H-pyrazolo[3,4-c]pyridin-5-yl]-3-pyridinyl]methyl]ethanamine
CID 136942460
1-cyclopropyl-3-[5-[4-(5-fluorothiophen-2-yl)-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]urea
CID 154654159
5-[3-[4-(3-fluorophenyl)-1H-benzimidazol-2-yl]-1H-pyrazolo[4,3-b]pyridin-5-yl]pyridin-3-amine
CID 137109284
N-[5-[3-[4-(3-fluorophenyl)-1H-benzimidazol-2-yl]-1H-pyrazolo[4,3-b]pyridin-5-yl]-3-pyridinyl]cyclobutanecarboxamide
CID 139424479
N-[5-[4-fluoro-3-[4-(3-fluorophenyl)-1H-benzimidazol-2-yl]-1H-pyrazolo[3,4-c]pyridin-5-yl]-3-pyridinyl]-3-methylbutanamide
CID 136942455
N-but-1-en-2-yl-5-[3-[7-(3-fluorophenyl)-3H-imidazo[4,5-c]pyridin-2-yl]-1,7-dihydropyrazolo[3,4-d]azepin-5-yl]pyridin-3-amine
CID 145037721

Frequently Asked Questions

What is the IUPAC name of ethane;1-N-[5-[4-(3-fluorophenyl)-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]-1-N',1-N'-dipropylethene-1,1-diamine?
The IUPAC name of ethane;1-N-[5-[4-(3-fluorophenyl)-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]-1-N',1-N'-dipropylethene-1,1-diamine (CID 154654478) is ethane;1-N-[5-[4-(3-fluorophenyl)-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]-1-N',1-N'-dipropylethene-1,1-diamine.
What is the SMILES notation for ethane;1-N-[5-[4-(3-fluorophenyl)-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]-1-N',1-N'-dipropylethene-1,1-diamine?
The canonical SMILES for ethane;1-N-[5-[4-(3-fluorophenyl)-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]-1-N',1-N'-dipropylethene-1,1-diamine is C=C(Nc1cn[nH]c1-c1nc2c(-c3cccc(F)c3)cccc2[nH]1)N(CCC)CCC.CC.
What is the InChIKey of ethane;1-N-[5-[4-(3-fluorophenyl)-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]-1-N',1-N'-dipropylethene-1,1-diamine?
The InChIKey is HOOPNOBRPHUKGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H27FN6.C2H6/c1-4-12-31(13-5-2)16(3)27-21-15-26-30-23(21)24-28-20-11-7-10-19(22(20)29-24)17-8-6-9-18(25)14-17;1-2/h6-11,14-15,27H,3-5,12-13H2,1-2H3,(H,26,30)(H,28,29);1-2H3.
What are the key properties of ethane;1-N-[5-[4-(3-fluorophenyl)-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]-1-N',1-N'-dipropylethene-1,1-diamine?
ethane;1-N-[5-[4-(3-fluorophenyl)-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]-1-N',1-N'-dipropylethene-1,1-diamine has a molecular weight of 448.59 g/mol, XLogP of 6.79, 9 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;1-N-[5-[4-(3-fluorophenyl)-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]-1-N',1-N'-dipropylethene-1,1-diamine is sourced from PubChem (CID 154654478), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).