2-cyclopentyl-1,3-di(propan-2-yl)-2H-benzo[f]benzimidazole

C22H30N2 — CID 167159816

IUPAC2-cyclopentyl-1,3-di(propan-2-yl)-2H-benzo[f]benzimidazole
SMILESCC(C)N1c2cc3ccccc3cc2N(C(C)C)C1C1CCCC1
InChIInChI=1S/C22H30N2/c1-15(2)23-20-13-18-11-7-8-12-19(18)14-21(20)24(16(3)4)22(23)17-9-5-6-10-17/h7-8,11-17,22H,5-6,9-10H2,1-4H3
InChIKeyNUBKANZDPVHXRW-UHFFFAOYSA-N
MW322.50 g/mol
LogP5.80
Rot. Bonds3

About 2-cyclopentyl-1,3-di(propan-2-yl)-2H-benzo[f]benzimidazole

2-cyclopentyl-1,3-di(propan-2-yl)-2H-benzo[f]benzimidazole (PubChem CID 167159816) has the molecular formula C22H30N2 and a molecular weight of 322.50 g/mol. Its IUPAC name is 2-cyclopentyl-1,3-di(propan-2-yl)-2H-benzo[f]benzimidazole.

Molecular Properties

Compound Name2-cyclopentyl-1,3-di(propan-2-yl)-2H-benzo[f]benzimidazole
PubChem CID167159816
Molecular FormulaC22H30N2
Molecular Weight322.50 g/mol
Exact Mass322.24
IUPAC Name2-cyclopentyl-1,3-di(propan-2-yl)-2H-benzo[f]benzimidazole
SMILESCC(C)N1c2cc3ccccc3cc2N(C(C)C)C1C1CCCC1
InChIInChI=1S/C22H30N2/c1-15(2)23-20-13-18-11-7-8-12-19(18)14-21(20)24(16(3)4)22(23)17-9-5-6-10-17/h7-8,11-17,22H,5-6,9-10H2,1-4H3
InChIKeyNUBKANZDPVHXRW-UHFFFAOYSA-N
XLogP5.80
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500322.50
LogP ≤ 55.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-cyclopentyl-1,3-di(propan-2-yl)-2H-benzo[f]benzimidazole?
The IUPAC name of 2-cyclopentyl-1,3-di(propan-2-yl)-2H-benzo[f]benzimidazole (CID 167159816) is 2-cyclopentyl-1,3-di(propan-2-yl)-2H-benzo[f]benzimidazole.
What is the SMILES notation for 2-cyclopentyl-1,3-di(propan-2-yl)-2H-benzo[f]benzimidazole?
The canonical SMILES for 2-cyclopentyl-1,3-di(propan-2-yl)-2H-benzo[f]benzimidazole is CC(C)N1c2cc3ccccc3cc2N(C(C)C)C1C1CCCC1.
What is the InChIKey of 2-cyclopentyl-1,3-di(propan-2-yl)-2H-benzo[f]benzimidazole?
The InChIKey is NUBKANZDPVHXRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H30N2/c1-15(2)23-20-13-18-11-7-8-12-19(18)14-21(20)24(16(3)4)22(23)17-9-5-6-10-17/h7-8,11-17,22H,5-6,9-10H2,1-4H3.
What are the key properties of 2-cyclopentyl-1,3-di(propan-2-yl)-2H-benzo[f]benzimidazole?
2-cyclopentyl-1,3-di(propan-2-yl)-2H-benzo[f]benzimidazole has a molecular weight of 322.50 g/mol, XLogP of 5.80, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopentyl-1,3-di(propan-2-yl)-2H-benzo[f]benzimidazole is sourced from PubChem (CID 167159816), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).