3,6-bis[5-(4,5-dihydro-1H-imidazol-2-yl)-1H-benzimidazol-2-yl]-9H-carbazole

C32H25N9 — CID 135499478

IUPAC3,6-bis[5-(4,5-dihydro-1H-imidazol-2-yl)-1H-benzimidazol-2-yl]-9H-carbazole
SMILESc1cc2[nH]c(-c3ccc4[nH]c5ccc(-c6nc7cc(C8=NCCN8)ccc7[nH]6)cc5c4c3)nc2cc1C1=NCCN1
InChIInChI=1S/C32H25N9/c1-5-23-21(13-17(1)31-38-25-7-3-19(15-27(25)40-31)29-33-9-10-34-29)22-14-18(2-6-24(22)37-23)32-39-26-8-4-20(16-28(26)41-32)30-35-11-12-36-30/h1-8,13-16,37H,9-12H2,(H,33,34)(H,35,36)(H,38,40)(H,39,41)
InChIKeyAOFXKOIKUFJNGS-UHFFFAOYSA-N
MW535.62 g/mol
LogP5.11
Rot. Bonds4

About 3,6-bis[5-(4,5-dihydro-1H-imidazol-2-yl)-1H-benzimidazol-2-yl]-9H-carbazole

3,6-bis[5-(4,5-dihydro-1H-imidazol-2-yl)-1H-benzimidazol-2-yl]-9H-carbazole (PubChem CID 135499478) has the molecular formula C32H25N9 and a molecular weight of 535.62 g/mol. Its IUPAC name is 3,6-bis[5-(4,5-dihydro-1H-imidazol-2-yl)-1H-benzimidazol-2-yl]-9H-carbazole.

Molecular Properties

Compound Name3,6-bis[5-(4,5-dihydro-1H-imidazol-2-yl)-1H-benzimidazol-2-yl]-9H-carbazole
PubChem CID135499478
Molecular FormulaC32H25N9
Molecular Weight535.62 g/mol
Exact Mass535.22
IUPAC Name3,6-bis[5-(4,5-dihydro-1H-imidazol-2-yl)-1H-benzimidazol-2-yl]-9H-carbazole
SMILESc1cc2[nH]c(-c3ccc4[nH]c5ccc(-c6nc7cc(C8=NCCN8)ccc7[nH]6)cc5c4c3)nc2cc1C1=NCCN1
InChIInChI=1S/C32H25N9/c1-5-23-21(13-17(1)31-38-25-7-3-19(15-27(25)40-31)29-33-9-10-34-29)22-14-18(2-6-24(22)37-23)32-39-26-8-4-20(16-28(26)41-32)30-35-11-12-36-30/h1-8,13-16,37H,9-12H2,(H,33,34)(H,35,36)(H,38,40)(H,39,41)
InChIKeyAOFXKOIKUFJNGS-UHFFFAOYSA-N
XLogP5.11
TPSA121.93 Ų
H-Bond Donors5
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms41
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500535.62
LogP ≤ 55.11
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 106

Analyze 3,6-bis[5-(4,5-dihydro-1H-imidazol-2-yl)-1H-benzimidazol-2-yl]-9H-carbazole with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3,6-bis[5-(4,5-dihydro-1H-imidazol-2-yl)-1H-benzimidazol-2-yl]-9H-carbazole?
The IUPAC name of 3,6-bis[5-(4,5-dihydro-1H-imidazol-2-yl)-1H-benzimidazol-2-yl]-9H-carbazole (CID 135499478) is 3,6-bis[5-(4,5-dihydro-1H-imidazol-2-yl)-1H-benzimidazol-2-yl]-9H-carbazole.
What is the SMILES notation for 3,6-bis[5-(4,5-dihydro-1H-imidazol-2-yl)-1H-benzimidazol-2-yl]-9H-carbazole?
The canonical SMILES for 3,6-bis[5-(4,5-dihydro-1H-imidazol-2-yl)-1H-benzimidazol-2-yl]-9H-carbazole is c1cc2[nH]c(-c3ccc4[nH]c5ccc(-c6nc7cc(C8=NCCN8)ccc7[nH]6)cc5c4c3)nc2cc1C1=NCCN1.
What is the InChIKey of 3,6-bis[5-(4,5-dihydro-1H-imidazol-2-yl)-1H-benzimidazol-2-yl]-9H-carbazole?
The InChIKey is AOFXKOIKUFJNGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H25N9/c1-5-23-21(13-17(1)31-38-25-7-3-19(15-27(25)40-31)29-33-9-10-34-29)22-14-18(2-6-24(22)37-23)32-39-26-8-4-20(16-28(26)41-32)30-35-11-12-36-30/h1-8,13-16,37H,9-12H2,(H,33,34)(H,35,36)(H,38,40)(H,39,41).
What are the key properties of 3,6-bis[5-(4,5-dihydro-1H-imidazol-2-yl)-1H-benzimidazol-2-yl]-9H-carbazole?
3,6-bis[5-(4,5-dihydro-1H-imidazol-2-yl)-1H-benzimidazol-2-yl]-9H-carbazole has a molecular weight of 535.62 g/mol, XLogP of 5.11, 4 rotatable bonds, 5 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3,6-bis[5-(4,5-dihydro-1H-imidazol-2-yl)-1H-benzimidazol-2-yl]-9H-carbazole is sourced from PubChem (CID 135499478), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).