2,7-bis[5-(4,5-dihydro-1H-imidazol-2-yl)-1H-benzimidazol-2-yl]-9H-carbazole

C32H25N9 — CID 135499479

IUPAC2,7-bis[5-(4,5-dihydro-1H-imidazol-2-yl)-1H-benzimidazol-2-yl]-9H-carbazole
SMILESc1cc2[nH]c(-c3ccc4c(c3)[nH]c3cc(-c5nc6cc(C7=NCCN7)ccc6[nH]5)ccc34)nc2cc1C1=NCCN1
InChIInChI=1S/C32H25N9/c1-5-21-22-6-2-20(32-39-24-8-4-18(16-28(24)41-32)30-35-11-12-36-30)14-26(22)37-25(21)13-19(1)31-38-23-7-3-17(15-27(23)40-31)29-33-9-10-34-29/h1-8,13-16,37H,9-12H2,(H,33,34)(H,35,36)(H,38,40)(H,39,41)
InChIKeyUHXIPLNLPZZBRG-UHFFFAOYSA-N
MW535.62 g/mol
LogP5.11
Rot. Bonds4

About 2,7-bis[5-(4,5-dihydro-1H-imidazol-2-yl)-1H-benzimidazol-2-yl]-9H-carbazole

2,7-bis[5-(4,5-dihydro-1H-imidazol-2-yl)-1H-benzimidazol-2-yl]-9H-carbazole (PubChem CID 135499479) has the molecular formula C32H25N9 and a molecular weight of 535.62 g/mol. Its IUPAC name is 2,7-bis[5-(4,5-dihydro-1H-imidazol-2-yl)-1H-benzimidazol-2-yl]-9H-carbazole.

Molecular Properties

Compound Name2,7-bis[5-(4,5-dihydro-1H-imidazol-2-yl)-1H-benzimidazol-2-yl]-9H-carbazole
PubChem CID135499479
Molecular FormulaC32H25N9
Molecular Weight535.62 g/mol
Exact Mass535.22
IUPAC Name2,7-bis[5-(4,5-dihydro-1H-imidazol-2-yl)-1H-benzimidazol-2-yl]-9H-carbazole
SMILESc1cc2[nH]c(-c3ccc4c(c3)[nH]c3cc(-c5nc6cc(C7=NCCN7)ccc6[nH]5)ccc34)nc2cc1C1=NCCN1
InChIInChI=1S/C32H25N9/c1-5-21-22-6-2-20(32-39-24-8-4-18(16-28(24)41-32)30-35-11-12-36-30)14-26(22)37-25(21)13-19(1)31-38-23-7-3-17(15-27(23)40-31)29-33-9-10-34-29/h1-8,13-16,37H,9-12H2,(H,33,34)(H,35,36)(H,38,40)(H,39,41)
InChIKeyUHXIPLNLPZZBRG-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

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Frequently Asked Questions

What is the IUPAC name of 2,7-bis[5-(4,5-dihydro-1H-imidazol-2-yl)-1H-benzimidazol-2-yl]-9H-carbazole?
The IUPAC name of 2,7-bis[5-(4,5-dihydro-1H-imidazol-2-yl)-1H-benzimidazol-2-yl]-9H-carbazole (CID 135499479) is 2,7-bis[5-(4,5-dihydro-1H-imidazol-2-yl)-1H-benzimidazol-2-yl]-9H-carbazole.
What is the SMILES notation for 2,7-bis[5-(4,5-dihydro-1H-imidazol-2-yl)-1H-benzimidazol-2-yl]-9H-carbazole?
The canonical SMILES for 2,7-bis[5-(4,5-dihydro-1H-imidazol-2-yl)-1H-benzimidazol-2-yl]-9H-carbazole is c1cc2[nH]c(-c3ccc4c(c3)[nH]c3cc(-c5nc6cc(C7=NCCN7)ccc6[nH]5)ccc34)nc2cc1C1=NCCN1.
What is the InChIKey of 2,7-bis[5-(4,5-dihydro-1H-imidazol-2-yl)-1H-benzimidazol-2-yl]-9H-carbazole?
The InChIKey is UHXIPLNLPZZBRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H25N9/c1-5-21-22-6-2-20(32-39-24-8-4-18(16-28(24)41-32)30-35-11-12-36-30)14-26(22)37-25(21)13-19(1)31-38-23-7-3-17(15-27(23)40-31)29-33-9-10-34-29/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 2,7-bis[5-(4,5-dihydro-1H-imidazol-2-yl)-1H-benzimidazol-2-yl]-9H-carbazole?
2,7-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 2,7-bis[5-(4,5-dihydro-1H-imidazol-2-yl)-1H-benzimidazol-2-yl]-9H-carbazole is sourced from PubChem (CID 135499479), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).